N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide

C10H20N2O4S2 — CID 54973935

IUPACN-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CC2CCCNC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)5-3-10(8-17)12-18(15,16)7-9-2-1-4-11-6-9/h9-12H,1-8H2
InChIKeySCLGEVSEQFDRMA-UHFFFAOYSA-N
MW296.41 g/mol
LogP-0.91
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide

N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54973935) has the molecular formula C10H20N2O4S2 and a molecular weight of 296.41 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID54973935
Molecular FormulaC10H20N2O4S2
Molecular Weight296.41 g/mol
Exact Mass296.09
IUPAC NameN-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)CC2CCCNC2)C1
InChIInChI=1S/C10H20N2O4S2/c13-17(14)5-3-10(8-17)12-18(15,16)7-9-2-1-4-11-6-9/h9-12H,1-8H2
InChIKeySCLGEVSEQFDRMA-UHFFFAOYSA-N
XLogP-0.91
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-1-piperidin-2-ylmethanesulfonamide
CID 54973665
N-cyclopentyl-1-pyrrolidin-3-ylmethanesulfonamide
CID 115039136
N-(oxan-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 55190208
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
N-(2,2-dimethyloxan-4-yl)-1-piperidin-3-ylmethanesulfonamide
CID 83028887
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
1-(azetidin-3-yl)-N-cyclohexylmethanesulfonamide
CID 115039138
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
N-cyclopropyl-1,1-dioxo-N-(piperidin-3-ylmethyl)thiolan-3-amine
CID 104870090
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
CID 114912971
N-morpholin-4-yl-1-piperidin-3-ylmethanesulfonamide
CID 83026477

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide (CID 54973935) is N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide is O=S1(=O)CCC(NS(=O)(=O)CC2CCCNC2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is SCLGEVSEQFDRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S2/c13-17(14)5-3-10(8-17)12-18(15,16)7-9-2-1-4-11-6-9/h9-12H,1-8H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 296.41 g/mol, XLogP of -0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54973935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).