(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide

C17H25N3O3S — CID 120634945

IUPAC(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O3S/c1-11-3-4-15(10-16(11)24(22,23)20-14-5-6-14)19-17(21)13-7-8-18-12(2)9-13/h3-4,10,12-14,18,20H,5-9H2,1-2H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyZGZNYILKKCVRBV-STQMWFEESA-N
MW351.47 g/mol
LogP1.76
Rot. Bonds5

About (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120634945) has the molecular formula C17H25N3O3S and a molecular weight of 351.47 g/mol. Its IUPAC name is (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120634945
Molecular FormulaC17H25N3O3S
Molecular Weight351.47 g/mol
Exact Mass351.16
IUPAC Name(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide
SMILESCc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H25N3O3S/c1-11-3-4-15(10-16(11)24(22,23)20-14-5-6-14)19-17(21)13-7-8-18-12(2)9-13/h3-4,10,12-14,18,20H,5-9H2,1-2H3,(H,19,21)/t12-,13-/m0/s1
InChIKeyZGZNYILKKCVRBV-STQMWFEESA-N
XLogP1.76
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120618117
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]cyclohexane-1-carboxamide
CID 119797379
(2S,4S)-N-[3-(methanesulfonamido)-4-methylphenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620801
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide
CID 120620818
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-(3-acetamido-4-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620817
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]acetamide
CID 119331403
(2S,4S)-N-(4-fluoro-3-methylphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620325
3-amino-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119797376
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide (CID 120634945) is (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide is Cc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is ZGZNYILKKCVRBV-STQMWFEESA-N. The full InChI is InChI=1S/C17H25N3O3S/c1-11-3-4-15(10-16(11)24(22,23)20-14-5-6-14)19-17(21)13-7-8-18-12(2)9-13/h3-4,10,12-14,18,20H,5-9H2,1-2H3,(H,19,21)/t12-,13-/m0/s1.
What are the key properties of (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 351.47 g/mol, XLogP of 1.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(cyclopropylsulfamoyl)-4-methylphenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120634945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).