(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

C16H23ClN2O3S — CID 51941069

IUPAC(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-3-9-23(21,22)19-8-4-5-13(11-19)16(20)18-14-7-6-12(2)15(17)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyMWJQEQONYNDPPU-CYBMUJFWSA-N
MW358.89 g/mol
LogP3.04
Rot. Bonds5

About (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 51941069) has the molecular formula C16H23ClN2O3S and a molecular weight of 358.89 g/mol. Its IUPAC name is (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID51941069
Molecular FormulaC16H23ClN2O3S
Molecular Weight358.89 g/mol
Exact Mass358.11
IUPAC Name(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)C1
InChIInChI=1S/C16H23ClN2O3S/c1-3-9-23(21,22)19-8-4-5-13(11-19)16(20)18-14-7-6-12(2)15(17)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1
InChIKeyMWJQEQONYNDPPU-CYBMUJFWSA-N
XLogP3.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(3-chloro-4-methylphenyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92642191
(3S)-N-(3-chloro-4-fluorophenyl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 41447116
(3S)-N-[4-methyl-3-(tetrazol-1-yl)phenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956219
N-(3-chloro-2-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647082
ethyl 2-chloro-4-[(1-ethylsulfonylpiperidine-3-carbonyl)amino]benzoate
CID 132661881
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,5-dichlorophenyl)sulfonylpiperidine-3-carboxamide
CID 126396495
(3S)-N-(5-chloro-2-fluorophenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 51955455
methyl N-[4-[(3R)-3-[(3-chloro-4-methylphenyl)carbamoyl]piperidin-1-yl]sulfonylphenyl]carbamate
CID 1190398
(3S)-N-(3-chloro-4-methylphenyl)-1-methylpiperidine-3-carboxamide
CID 99773447
1-propylsulfonyl-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55647241
N-(4-phenyldiazenylphenyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 55647265
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 42959127

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide (CID 51941069) is (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)C1.
What is the InChIKey of (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is MWJQEQONYNDPPU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23ClN2O3S/c1-3-9-23(21,22)19-8-4-5-13(11-19)16(20)18-14-7-6-12(2)15(17)10-14/h6-7,10,13H,3-5,8-9,11H2,1-2H3,(H,18,20)/t13-/m1/s1.
What are the key properties of (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 358.89 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(3-chloro-4-methylphenyl)-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51941069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).