N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide

C47H110N16O17S9 — CID 158277585

IUPACN,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)C)CC1.CN(C)S(=O)(=O)N1CCCC1.CN(C)S(=O)(=O)N1CCOCC1.CN(C)S(=O)(=O)N1CCS(=O)(=O)CC1.CN(C)S(=O)(=O)N1CCSCC1.CN1CCCN(S(=O)(=O)N(C)C)CC1.CN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S.C8H18N2O2S.C7H17N3O2S.C6H14N2O4S2.C6H14N2O3S.C6H14N2O2S2.C6H14N2O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11;1-8-4-6-10(7-5-8)13(11,12)9(2)3;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)14(11,12)8-3-5-13(9,10)6-4-8;2*1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8/h4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;2*3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyGJULXOFOZFPJFX-UHFFFAOYSA-N
MW1460.09 g/mol
LogP-3.63
Rot. Bonds14

About N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide

N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide (PubChem CID 158277585) has the molecular formula C47H110N16O17S9 and a molecular weight of 1460.09 g/mol. Its IUPAC name is N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide
PubChem CID158277585
Molecular FormulaC47H110N16O17S9
Molecular Weight1460.09 g/mol
Exact Mass1458.57
IUPAC NameN,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide
SMILESCC1CCN(S(=O)(=O)N(C)C)CC1.CN(C)S(=O)(=O)N1CCCC1.CN(C)S(=O)(=O)N1CCOCC1.CN(C)S(=O)(=O)N1CCS(=O)(=O)CC1.CN(C)S(=O)(=O)N1CCSCC1.CN1CCCN(S(=O)(=O)N(C)C)CC1.CN1CCN(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C8H19N3O2S.C8H18N2O2S.C7H17N3O2S.C6H14N2O4S2.C6H14N2O3S.C6H14N2O2S2.C6H14N2O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11;1-8-4-6-10(7-5-8)13(11,12)9(2)3;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)14(11,12)8-3-5-13(9,10)6-4-8;2*1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8/h4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;2*3-6H2,1-2H3;3-6H2,1-2H3
InChIKeyGJULXOFOZFPJFX-UHFFFAOYSA-N
XLogP-3.63
TPSA334.19 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms89
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001460.09
LogP ≤ 5-3.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide with MolForge

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Related Compounds

N,N-dimethylthiomorpholine-4-sulfonamide
CID 59786661
4-methylmorpholine;1-methylpiperidine;1-methylpyrrolidine;4-methyl-1,4-thiazinane 1,1-dioxide
CID 160805955
4-methylmorpholine;bis(1-methylpiperidine);4-methyl-1,4-thiazinane 1,1-dioxide;4-methyl-1,4-thiazinane 1-oxide;4-methylthiomorpholine
CID 158349393
4-methylmorpholine;4-methyl-1,4-oxazepane;1-methylpyrrolidine;bis(4-methylthiomorpholine)
CID 165009965
1,4-dimethylpiperazine;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;4-methylthiomorpholine
CID 159858771
1-(4-methylpiperidin-1-yl)sulfonylazocane
CID 176961547
4-chloro-N,N-dimethylazepane-1-sulfonamide
CID 131107442
4-[(4-morpholin-4-ylsulfonyl-1,4-diazepan-1-yl)sulfonyl]morpholine
CID 1258870
4-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]morpholine
CID 166272653
1-methylazepane;1-methyl-1,4-diazepane;4-methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine;4-methylthiomorpholine
CID 157410523
1-methyl-4-[4-[(3S)-3-methylpyrrolidin-1-yl]sulfonylpiperazin-1-yl]sulfonylpiperazine
CID 97260419
ethane;methylcyclohexane;4-methyl-1,4-thiazinane 1,1-dioxide
CID 143646922

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide?
The IUPAC name of N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide (CID 158277585) is N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide is CC1CCN(S(=O)(=O)N(C)C)CC1.CN(C)S(=O)(=O)N1CCCC1.CN(C)S(=O)(=O)N1CCOCC1.CN(C)S(=O)(=O)N1CCS(=O)(=O)CC1.CN(C)S(=O)(=O)N1CCSCC1.CN1CCCN(S(=O)(=O)N(C)C)CC1.CN1CCN(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide?
The InChIKey is GJULXOFOZFPJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O2S.C8H18N2O2S.C7H17N3O2S.C6H14N2O4S2.C6H14N2O3S.C6H14N2O2S2.C6H14N2O2S/c1-9(2)14(12,13)11-6-4-5-10(3)7-8-11;1-8-4-6-10(7-5-8)13(11,12)9(2)3;1-8(2)13(11,12)10-6-4-9(3)5-7-10;1-7(2)14(11,12)8-3-5-13(9,10)6-4-8;2*1-7(2)12(9,10)8-3-5-11-6-4-8;1-7(2)11(9,10)8-5-3-4-6-8/h4-8H2,1-3H3;8H,4-7H2,1-3H3;4-7H2,1-3H3;3-6H2,1-2H3;2*3-6H2,1-2H3;3-6H2,1-2H3.
What are the key properties of N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide?
N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide has a molecular weight of 1460.09 g/mol, XLogP of -3.63, 14 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,1-dioxo-1,4-thiazinane-4-sulfonamide;N,N-dimethylmorpholine-4-sulfonamide;N,N-dimethylpyrrolidine-1-sulfonamide;N,N-dimethylthiomorpholine-4-sulfonamide;N,N,4-trimethyl-1,4-diazepane-1-sulfonamide;N,N,4-trimethylpiperazine-1-sulfonamide;N,N,4-trimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 158277585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).