3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide

C18H26N2O5S2 — CID 91903755

IUPAC3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCC1CCCN(S(=O)(=O)c2ccccc2)C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c21-18(19-16-10-12-26(22,23)14-16)9-8-15-5-4-11-20(13-15)27(24,25)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21)
InChIKeyICNMYSIEIDDLGH-UHFFFAOYSA-N
MW414.55 g/mol
LogP1.17
Rot. Bonds6

About 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide

3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide (PubChem CID 91903755) has the molecular formula C18H26N2O5S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide.

Molecular Properties

Compound Name3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
PubChem CID91903755
Molecular FormulaC18H26N2O5S2
Molecular Weight414.55 g/mol
Exact Mass414.13
IUPAC Name3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide
SMILESO=C(CCC1CCCN(S(=O)(=O)c2ccccc2)C1)NC1CCS(=O)(=O)C1
InChIInChI=1S/C18H26N2O5S2/c21-18(19-16-10-12-26(22,23)14-16)9-8-15-5-4-11-20(13-15)27(24,25)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21)
InChIKeyICNMYSIEIDDLGH-UHFFFAOYSA-N
XLogP1.17
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]propanamide
CID 91903725
2-[1-(benzenesulfonyl)piperidin-3-yl]-N-piperidin-1-ylacetamide
CID 24962602
3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026321
(3R)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771217
(3S)-1-(4-acetamidophenyl)sulfonyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-3-carboxamide
CID 124771216
[1-[(1,1-dioxothiolan-3-yl)amino]-1-oxopropan-2-yl] 1-(benzenesulfonyl)piperidine-4-carboxylate
CID 45354792
3-[1-(benzenesulfonyl)piperidin-3-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-one
CID 91913355
1-(benzenesulfonyl)-3-(chloromethyl)piperidine
CID 63397663
N-[(3S)-1,1-dioxothiolan-3-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 7126759
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
1-[1-(benzenesulfonyl)piperidin-3-yl]-N-methylmethanamine
CID 61205850
N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-N-ethyl-4-pyrrolidin-1-ylsulfonylbenzamide
CID 4846366

Frequently Asked Questions

What is the IUPAC name of 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The IUPAC name of 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide (CID 91903755) is 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide.
What is the SMILES notation for 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The canonical SMILES for 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide is O=C(CCC1CCCN(S(=O)(=O)c2ccccc2)C1)NC1CCS(=O)(=O)C1.
What is the InChIKey of 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
The InChIKey is ICNMYSIEIDDLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5S2/c21-18(19-16-10-12-26(22,23)14-16)9-8-15-5-4-11-20(13-15)27(24,25)17-6-2-1-3-7-17/h1-3,6-7,15-16H,4-5,8-14H2,(H,19,21).
What are the key properties of 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide?
3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide has a molecular weight of 414.55 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(benzenesulfonyl)piperidin-3-yl]-N-(1,1-dioxothiolan-3-yl)propanamide is sourced from PubChem (CID 91903755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).