(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide

C12H24N4O4S — CID 124963780

IUPAC(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H24N4O4S/c1-13-12(17)11-9-14(2)3-4-16(10-11)21(18,19)15-5-7-20-8-6-15/h11H,3-10H2,1-2H3,(H,13,17)/t11-/m0/s1
InChIKeyHSUBDPAWRXAXIR-NSHDSACASA-N
MW320.42 g/mol
LogP-1.83
Rot. Bonds3

About (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide

(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide (PubChem CID 124963780) has the molecular formula C12H24N4O4S and a molecular weight of 320.42 g/mol. Its IUPAC name is (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide.

Molecular Properties

Compound Name(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
PubChem CID124963780
Molecular FormulaC12H24N4O4S
Molecular Weight320.42 g/mol
Exact Mass320.15
IUPAC Name(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
SMILESCNC(=O)[C@H]1CN(C)CCN(S(=O)(=O)N2CCOCC2)C1
InChIInChI=1S/C12H24N4O4S/c1-13-12(17)11-9-14(2)3-4-16(10-11)21(18,19)15-5-7-20-8-6-15/h11H,3-10H2,1-2H3,(H,13,17)/t11-/m0/s1
InChIKeyHSUBDPAWRXAXIR-NSHDSACASA-N
XLogP-1.83
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 5-1.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide with MolForge

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Related Compounds

(6R)-1-acetyl-N-methyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide
CID 124983384
N-cyclohexyl-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 22552797
1-(4-morpholin-4-ylsulfonylpiperazin-1-yl)ethanone
CID 2235310
N-[(1-morpholin-4-ylsulfonylpiperidin-3-yl)methyl]ethanamine
CID 63880145
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018098
1-morpholin-4-ylsulfonyl-N-propan-2-ylpiperidine-4-carboxamide
CID 4605990
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylpiperidine-4-carboxamide
CID 94018099
N-(2-aminoethyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 63253133
(6R)-1-cyclohexyl-N,4-dimethyl-1,4-diazepane-6-carboxamide
CID 124990516
azepan-1-yl-(1-morpholin-4-ylsulfonylpiperidin-3-yl)methanone
CID 22552707
N-(2,3-dimethylcyclohexyl)-1-morpholin-4-ylsulfonylpiperidine-3-carboxamide
CID 126458859
4-[1-(4-methylpiperazin-1-yl)sulfonylpiperidin-4-yl]morpholine
CID 166272653

Frequently Asked Questions

What is the IUPAC name of (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The IUPAC name of (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide (CID 124963780) is (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide.
What is the SMILES notation for (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The canonical SMILES for (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide is CNC(=O)[C@H]1CN(C)CCN(S(=O)(=O)N2CCOCC2)C1.
What is the InChIKey of (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
The InChIKey is HSUBDPAWRXAXIR-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N4O4S/c1-13-12(17)11-9-14(2)3-4-16(10-11)21(18,19)15-5-7-20-8-6-15/h11H,3-10H2,1-2H3,(H,13,17)/t11-/m0/s1.
What are the key properties of (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide?
(6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide has a molecular weight of 320.42 g/mol, XLogP of -1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N,1-dimethyl-4-morpholin-4-ylsulfonyl-1,4-diazepane-6-carboxamide is sourced from PubChem (CID 124963780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).