(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

C17H24N2O3S — CID 95310188

IUPAC(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-9-11-23(21,22)13-15)19-10-5-4-8-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m0/s1
InChIKeyRELGWMTXADRTPV-JKSUJKDBSA-N
MW336.46 g/mol
LogP1.98
Rot. Bonds3

About (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide

(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (PubChem CID 95310188) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
PubChem CID95310188
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1
InChIInChI=1S/C17H24N2O3S/c20-17(18-15-9-11-23(21,22)13-15)19-10-5-4-8-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m0/s1
InChIKeyRELGWMTXADRTPV-JKSUJKDBSA-N
XLogP1.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-(1,1-dioxothian-3-yl)piperidine-1-carboxamide
CID 127854422
(2S)-N-[(3S)-1,1-dioxothiolan-3-yl]-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxamide
CID 94798779
N-[(3S)-1,1-dioxothiolan-3-yl]-2-phenylacetamide
CID 40569648
3-(4-benzylpiperidin-1-yl)-N-(1,1-dioxothiolan-3-yl)propanamide
CID 109026321
N-(1,1-dioxothiolan-3-yl)-4-(3-phenylpropyl)piperazine-1-carboxamide
CID 113109683
[(2S)-2-benzylpiperidin-1-yl]-phenylmethanone
CID 155929798
methyl 2-benzylazepane-1-carboxylate
CID 102314657
(2R)-1-[(1,1-dioxothiolan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 78923190
2-benzylsulfanyl-N-(1,1-dioxothiolan-3-yl)acetamide
CID 4026635
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
3-[[C-(4-benzylpiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(1,1-dioxothiolan-3-yl)propanamide
CID 111152934

Frequently Asked Questions

What is the IUPAC name of (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The IUPAC name of (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide (CID 95310188) is (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The canonical SMILES for (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1Cc1ccccc1.
What is the InChIKey of (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
The InChIKey is RELGWMTXADRTPV-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H24N2O3S/c20-17(18-15-9-11-23(21,22)13-15)19-10-5-4-8-16(19)12-14-6-2-1-3-7-14/h1-3,6-7,15-16H,4-5,8-13H2,(H,18,20)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide?
(2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide has a molecular weight of 336.46 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-benzyl-N-[(3S)-1,1-dioxothiolan-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95310188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).