(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide

C15H20N4O3S — CID 94139251

IUPAC(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)17-10-13-3-2-8-19(11-13)15(20)18-14-6-4-12(9-16)5-7-14/h4-7,13,17H,2-3,8,10-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyGCYXQXUTXJLZKR-CYBMUJFWSA-N
MW336.42 g/mol
LogP1.35
Rot. Bonds4

About (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide

(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide (PubChem CID 94139251) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
PubChem CID94139251
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC Name(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
SMILESCS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1
InChIInChI=1S/C15H20N4O3S/c1-23(21,22)17-10-13-3-2-8-19(11-13)15(20)18-14-6-4-12(9-16)5-7-14/h4-7,13,17H,2-3,8,10-11H2,1H3,(H,18,20)/t13-/m1/s1
InChIKeyGCYXQXUTXJLZKR-CYBMUJFWSA-N
XLogP1.35
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-(4-cyanophenyl)-3-[(sulfamoylamino)methyl]piperidine-1-carboxamide
CID 95140759
(3R)-3-(methanesulfonamidomethyl)-N-(6-methoxy-3-pyridinyl)piperidine-1-carboxamide
CID 94031810
(3S)-3-amino-N-(4-cyanophenyl)pyrrolidine-1-carboxamide
CID 113282408
1-N-(4-cyanophenyl)-4-N-(cyclopropylmethyl)-1,4-diazepane-1,4-dicarboxamide
CID 23852889
(3R)-N-(2-fluorophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide
CID 94139041
N-(4-cyanophenyl)piperidine-1-carboxamide
CID 89462027
N-[[1-(4-aminobenzoyl)piperidin-3-yl]methyl]methanesulfonamide
CID 60963148
N-[[1-(3-methylfuran-2-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 47180844
N-(3-chloro-4-cyanophenyl)-3-ethylpiperidine-1-carboxamide
CID 47197599
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
N-(4-cyanophenyl)-2-(3-ethylpiperidin-1-yl)acetamide
CID 43430359

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide (CID 94139251) is (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide is CS(=O)(=O)NC[C@H]1CCCN(C(=O)Nc2ccc(C#N)cc2)C1.
What is the InChIKey of (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide?
The InChIKey is GCYXQXUTXJLZKR-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-23(21,22)17-10-13-3-2-8-19(11-13)15(20)18-14-6-4-12(9-16)5-7-14/h4-7,13,17H,2-3,8,10-11H2,1H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide?
(3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(4-cyanophenyl)-3-(methanesulfonamidomethyl)piperidine-1-carboxamide is sourced from PubChem (CID 94139251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).