(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide

C17H26N2O3S — CID 94381355

IUPAC(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H26N2O3S/c1-4-9-18-17(20)15-6-5-10-19(12-15)23(21,22)16-11-13(2)7-8-14(16)3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyCYZDHQLPZQMWRN-OAHLLOKOSA-N
MW338.47 g/mol
LogP2.23
Rot. Bonds5

About (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide

(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide (PubChem CID 94381355) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
PubChem CID94381355
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1
InChIInChI=1S/C17H26N2O3S/c1-4-9-18-17(20)15-6-5-10-19(12-15)23(21,22)16-11-13(2)7-8-14(16)3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)/t15-/m1/s1
InChIKeyCYZDHQLPZQMWRN-OAHLLOKOSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)sulfonyl-N-pentylpiperidine-3-carboxamide
CID 133254995
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N-ethylpiperidine-3-carboxamide
CID 94764138
1-(2,5-dimethylphenyl)sulfonyl-N-(3-methylbutyl)piperidine-3-carboxamide
CID 133254996
(3R)-N-benzyl-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779953
(3R)-N-[(2S)-butan-2-yl]-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 100779925
1-(2,5-dimethylphenyl)sulfonyl-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 133254889
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propan-2-ylpiperidine-3-carboxamide
CID 100779917
N-propyl-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 3518998
N-(2-aminoethyl)-1-(2,4-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 119971282
(3S)-1-(2,5-dimethylphenyl)sulfonyl-N,N-diethylpiperidine-3-carboxamide
CID 100780184
N-(2,4-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254937
N-(3,5-dimethylphenyl)-1-(2,5-dimethylphenyl)sulfonylpiperidine-3-carboxamide
CID 133254941

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide (CID 94381355) is (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide is CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(C)ccc2C)C1.
What is the InChIKey of (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
The InChIKey is CYZDHQLPZQMWRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-4-9-18-17(20)15-6-5-10-19(12-15)23(21,22)16-11-13(2)7-8-14(16)3/h7-8,11,15H,4-6,9-10,12H2,1-3H3,(H,18,20)/t15-/m1/s1.
What are the key properties of (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide?
(3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide has a molecular weight of 338.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2,5-dimethylphenyl)sulfonyl-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 94381355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).