1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide

C15H28N2O4S2 — CID 131949970

IUPAC1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)C1
InChIInChI=1S/C15H28N2O4S2/c18-22(19)11-6-14(12-22)23(20,21)16-13-15(7-2-3-8-15)17-9-4-1-5-10-17/h14,16H,1-13H2
InChIKeyILQCTYRHYKDQBC-UHFFFAOYSA-N
MW364.53 g/mol
LogP0.89
Rot. Bonds5

About 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide

1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide (PubChem CID 131949970) has the molecular formula C15H28N2O4S2 and a molecular weight of 364.53 g/mol. Its IUPAC name is 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide
PubChem CID131949970
Molecular FormulaC15H28N2O4S2
Molecular Weight364.53 g/mol
Exact Mass364.15
IUPAC Name1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)C1
InChIInChI=1S/C15H28N2O4S2/c18-22(19)11-6-14(12-22)23(20,21)16-13-15(7-2-3-8-15)17-9-4-1-5-10-17/h14,16H,1-13H2
InChIKeyILQCTYRHYKDQBC-UHFFFAOYSA-N
XLogP0.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.53
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclopentyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65113372
1-[[(1,1-dioxothiolan-3-yl)sulfonylamino]methyl]cyclopropane-1-carboxylic acid
CID 113312092
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 65121394
N-[(1-aminocyclohexyl)methyl]-1,1-dioxothiane-4-sulfonamide;hydrochloride
CID 120874307
N-[2-(methylamino)ethyl]-1,1-dioxothiolane-3-sulfonamide
CID 62659118
3-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[(1-piperidin-1-ylcyclopentyl)methyl]propanamide;formic acid
CID 154907331
N-[(2S)-2-hydroxypropyl]-1,1-dioxothiolane-3-sulfonamide
CID 83058487
N-[(2-hydroxycyclohexyl)methyl]-1,1-dioxothiolane-3-sulfonamide
CID 64913898
1,1-dioxo-N-(pyrrolidin-2-ylmethyl)thiolane-3-sulfonamide
CID 62540052
1,1-dioxo-N-propan-2-ylthiolane-3-sulfonamide
CID 43827643
N-[(1-piperidin-1-ylcyclohexyl)methyl]thiohydroxylamine
CID 163582901
2-[1-[(1,1-dioxothiolan-3-yl)sulfonylamino]cyclopentyl]acetic acid
CID 64672752

Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide?
The IUPAC name of 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide (CID 131949970) is 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide.
What is the SMILES notation for 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide?
The canonical SMILES for 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)NCC2(N3CCCCC3)CCCC2)C1.
What is the InChIKey of 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide?
The InChIKey is ILQCTYRHYKDQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4S2/c18-22(19)11-6-14(12-22)23(20,21)16-13-15(7-2-3-8-15)17-9-4-1-5-10-17/h14,16H,1-13H2.
What are the key properties of 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide?
1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide has a molecular weight of 364.53 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-N-[(1-piperidin-1-ylcyclopentyl)methyl]thiolane-3-sulfonamide is sourced from PubChem (CID 131949970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).