(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide

C16H25N3O3S — CID 129397971

IUPAC(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H]1C
InChIInChI=1S/C16H25N3O3S/c1-12-5-4-10-19(13(12)2)16(20)18-15-8-6-14(7-9-15)11-17-23(3,21)22/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyDYPGDWXFAOHLIK-OLZOCXBDSA-N
MW339.46 g/mol
LogP2.39
Rot. Bonds4

About (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide

(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide (PubChem CID 129397971) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
PubChem CID129397971
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC Name(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide
SMILESC[C@@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H]1C
InChIInChI=1S/C16H25N3O3S/c1-12-5-4-10-19(13(12)2)16(20)18-15-8-6-14(7-9-15)11-17-23(3,21)22/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,18,20)/t12-,13+/m1/s1
InChIKeyDYPGDWXFAOHLIK-OLZOCXBDSA-N
XLogP2.39
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R)-N-[4-[[(2R,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7329733
(2R,3R)-N-[4-[[(2S,3S)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 11897842
(2S,3R)-N-[4-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 124829021
(2R,3S)-N-[3-[[(2S,3R)-2,3-dimethylpiperidine-1-carbonyl]amino]phenyl]-2,3-dimethylpiperidine-1-carboxamide
CID 7223934
2-chloro-5-[(2,3-dimethylpiperidine-1-carbonyl)amino]benzoic acid
CID 62123451
N-(3-acetylphenyl)-2,3-dimethylpiperidine-1-carboxamide
CID 62124695
4-cyclopentyl-N-[4-(methanesulfonamidomethyl)phenyl]butanamide
CID 71994664
N-[4-(methanesulfonamidomethyl)phenyl]pyrrolidine-2-carboxamide
CID 119328480
N-[4-(methanesulfonamidomethyl)phenyl]-2-methylpropanamide
CID 51331356
1-amino-N-[4-(methanesulfonamidomethyl)phenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119328489
1-[(4-bromophenyl)carbamoyl]-3-methylpiperidine-2-carboxylic acid
CID 107071248
2-cyclopentyl-N-(4-methylsulfonylphenyl)pyrrolidine-1-carboxamide
CID 71939005

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The IUPAC name of (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide (CID 129397971) is (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide.
What is the SMILES notation for (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The canonical SMILES for (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide is C[C@@H]1CCCN(C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)[C@H]1C.
What is the InChIKey of (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide?
The InChIKey is DYPGDWXFAOHLIK-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12-5-4-10-19(13(12)2)16(20)18-15-8-6-14(7-9-15)11-17-23(3,21)22/h6-9,12-13,17H,4-5,10-11H2,1-3H3,(H,18,20)/t12-,13+/m1/s1.
What are the key properties of (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide?
(2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide has a molecular weight of 339.46 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[4-(methanesulfonamidomethyl)phenyl]-2,3-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 129397971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).