(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

C16H25N3O3S — CID 95134922

IUPAC(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-13(14-8-4-3-5-9-14)18-16(20)19-11-7-6-10-15(19)12-17-23(2,21)22/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyABJQFFRHJIHJRK-ZFWWWQNUSA-N
MW339.46 g/mol
LogP1.86
Rot. Bonds5

About (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide

(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (PubChem CID 95134922) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
PubChem CID95134922
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide
SMILESC[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C16H25N3O3S/c1-13(14-8-4-3-5-9-14)18-16(20)19-11-7-6-10-15(19)12-17-23(2,21)22/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1
InChIKeyABJQFFRHJIHJRK-ZFWWWQNUSA-N
XLogP1.86
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(methanesulfonamidomethyl)-N-[(1R)-1-pyridin-4-ylethyl]piperidine-1-carboxamide
CID 95134126
N-[[1-(3-phenylbutanoyl)piperidin-2-yl]methyl]methanesulfonamide
CID 43073250
2-[1-(1-phenylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61370169
(2R)-N-ethyl-2-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 95160650
(2R)-2-[(2-ethylpiperidine-1-carbonyl)amino]-2-phenylacetic acid
CID 61196822
1-[4-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]phenyl]-3-phenylurea
CID 47029987
3-[2-(methanesulfonamidomethyl)piperidine-1-carbonyl]-N-propan-2-ylbenzenesulfonamide
CID 43073290
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
3-methyl-1-(1-phenylethylcarbamoyl)piperidine-2-carboxylic acid
CID 107071187
2-[1-(1-pyridin-4-ylethylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61371555
(2R)-N-(2-cyclohexyl-1-phenylethyl)-2-(methylsulfonylmethyl)pyrrolidine-1-carboxamide
CID 138033561
N-[[1-[2-methyl-3-(methylamino)propanoyl]piperidin-2-yl]methyl]methanesulfonamide
CID 79202830

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The IUPAC name of (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide (CID 95134922) is (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The canonical SMILES for (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is C[C@H](NC(=O)N1CCCC[C@H]1CNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
The InChIKey is ABJQFFRHJIHJRK-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-13(14-8-4-3-5-9-14)18-16(20)19-11-7-6-10-15(19)12-17-23(2,21)22/h3-5,8-9,13,15,17H,6-7,10-12H2,1-2H3,(H,18,20)/t13-,15-/m0/s1.
What are the key properties of (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide?
(2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methanesulfonamidomethyl)-N-[(1S)-1-phenylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 95134922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).