N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

C18H28N2O3S — CID 92802448

IUPACN-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-15(3)19-18(21)16-9-11-20(12-10-16)24(22,23)13-17-8-6-5-7-14(17)2/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKGVDXLNWSDOQAQ-HNNXBMFYSA-N
MW352.50 g/mol
LogP2.45
Rot. Bonds6

About N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide

N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (PubChem CID 92802448) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
PubChem CID92802448
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC NameN-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
SMILESCC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-15(3)19-18(21)16-9-11-20(12-10-16)24(22,23)13-17-8-6-5-7-14(17)2/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyKGVDXLNWSDOQAQ-HNNXBMFYSA-N
XLogP2.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methylphenyl)methylsulfonyl]-N-[(1S)-1-phenylethyl]piperidine-4-carboxamide
CID 92802456
1-[(2-fluorophenyl)methylsulfonyl]-N-[(2S)-pentan-2-yl]piperidine-4-carboxamide
CID 92802478
1-[(2-fluorophenyl)methylsulfonyl]-N-pentan-3-ylpiperidine-4-carboxamide
CID 53283463
1-benzylsulfonyl-N-[(2S)-4-phenylbutan-2-yl]piperidine-4-carboxamide
CID 29204152
N-[(2R)-butan-2-yl]-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92802421
N-(2,3-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642431
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 94012854
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1R)-1-phenylethyl]piperidine-4-carboxamide
CID 92802369
N-butan-2-yl-1-(2-chlorophenyl)sulfonylpiperidine-4-carboxamide
CID 113002892
N-(3,4-dichlorophenyl)-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 92642430
1-[(2-methylphenyl)methylsulfonyl]-N-[[(2S)-oxolan-2-yl]methyl]piperidine-4-carboxamide
CID 92802453
1-[(2-chlorophenyl)methylsulfonyl]-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]piperidine-4-carboxamide
CID 99131182

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide (CID 92802448) is N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is CC[C@H](C)NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2C)CC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
The InChIKey is KGVDXLNWSDOQAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-15(3)19-18(21)16-9-11-20(12-10-16)24(22,23)13-17-8-6-5-7-14(17)2/h5-8,15-16H,4,9-13H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide?
N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-[(2-methylphenyl)methylsulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 92802448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).