1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide

C17H24N2O3S — CID 138026218

IUPAC1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O3S/c18-23(21,22)15-7-4-12-19(13-15)16(20)17(10-11-17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,21,22)
InChIKeyVPPCGYMKWJORQN-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.68
Rot. Bonds5

About 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide

1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide (PubChem CID 138026218) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide
PubChem CID138026218
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC Name1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1
InChIInChI=1S/C17H24N2O3S/c18-23(21,22)15-7-4-12-19(13-15)16(20)17(10-11-17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,21,22)
InChIKeyVPPCGYMKWJORQN-UHFFFAOYSA-N
XLogP1.68
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylsulfanylacetyl)piperidine-3-sulfonamide
CID 79001409
(1-aminocyclobutyl)-[(3R)-3-(2-phenylethyl)piperidin-1-yl]methanone
CID 95556760
1-(2-methoxy-2-phenylacetyl)piperidine-3-sulfonamide
CID 62098751
benzyl (3R)-3-chlorosulfonylpiperidine-1-carboxylate
CID 98124423
benzyl 3-fluorosulfonylpiperidine-1-carboxylate
CID 131423569
[3-(aminomethyl)pyrrolidin-1-yl]-(1-benzylcyclopropyl)methanone
CID 119486293
1-(1-phenyl-1,2,4-triazole-3-carbonyl)piperidine-3-sulfonamide
CID 167985818
1-[2-(1-benzothiophen-3-yl)acetyl]piperidine-3-sulfonamide
CID 138995427
(3S)-1-(1-cyanocyclopentanecarbonyl)-N-phenylpiperidine-3-sulfonamide
CID 97348403
3-phenyl-1-(3-phenylazepan-1-yl)propan-1-one
CID 90608490
(4-amino-3-ethylpiperidin-1-yl)-(1-benzylcyclobutyl)methanone;hydrochloride
CID 155820492
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide?
The IUPAC name of 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide (CID 138026218) is 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide.
What is the SMILES notation for 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide?
The canonical SMILES for 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide is NS(=O)(=O)C1CCCN(C(=O)C2(CCc3ccccc3)CC2)C1.
What is the InChIKey of 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide?
The InChIKey is VPPCGYMKWJORQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c18-23(21,22)15-7-4-12-19(13-15)16(20)17(10-11-17)9-8-14-5-2-1-3-6-14/h1-3,5-6,15H,4,7-13H2,(H2,18,21,22).
What are the key properties of 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide?
1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)cyclopropanecarbonyl]piperidine-3-sulfonamide is sourced from PubChem (CID 138026218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).