(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide

C17H26N2O5S2 — CID 95118292

IUPAC(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S2/c1-4-16(13-7-9-15(10-8-13)25(2,21)22)18-17(20)14-6-5-11-19(12-14)26(3,23)24/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,18,20)/t14-,16-/m0/s1
InChIKeyYTDMOLQTOVPOGK-HOCLYGCPSA-N
MW402.54 g/mol
LogP1.33
Rot. Bonds6

About (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide

(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide (PubChem CID 95118292) has the molecular formula C17H26N2O5S2 and a molecular weight of 402.54 g/mol. Its IUPAC name is (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
PubChem CID95118292
Molecular FormulaC17H26N2O5S2
Molecular Weight402.54 g/mol
Exact Mass402.13
IUPAC Name(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
SMILESCC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O5S2/c1-4-16(13-7-9-15(10-8-13)25(2,21)22)18-17(20)14-6-5-11-19(12-14)26(3,23)24/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,18,20)/t14-,16-/m0/s1
InChIKeyYTDMOLQTOVPOGK-HOCLYGCPSA-N
XLogP1.33
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.54
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-1-ethylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide
CID 125042948
(3S)-N-[(1S)-1-(3,4-dimethylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95118347
1-ethylsulfonyl-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 50946502
(3R)-1-ethylsulfonyl-N-[(1R)-1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 95118826
(3S)-N-[(1S)-1-(4-methoxy-3-methylphenyl)propyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 95877813
1-(dimethylsulfamoyl)-N-[1-(4-methylphenyl)propyl]piperidine-3-carboxamide
CID 43876701
(3R)-1-(dimethylsulfamoyl)-N-[(1S)-1-phenylpropyl]piperidine-3-carboxamide
CID 38018238
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethylphenyl)propyl]piperidine-3-carboxamide
CID 100676462
(3S)-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 125042906
(3R)-N-[(1S)-1-phenylpropyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 94019844
(3S)-1-(4-chlorophenyl)sulfonyl-N-[(1S)-1-(3,4-dimethoxyphenyl)propyl]piperidine-3-carboxamide
CID 125058830
(3S)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 125075665

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide (CID 95118292) is (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide is CC[C@H](NC(=O)[C@H]1CCCN(S(C)(=O)=O)C1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
The InChIKey is YTDMOLQTOVPOGK-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H26N2O5S2/c1-4-16(13-7-9-15(10-8-13)25(2,21)22)18-17(20)14-6-5-11-19(12-14)26(3,23)24/h7-10,14,16H,4-6,11-12H2,1-3H3,(H,18,20)/t14-,16-/m0/s1.
What are the key properties of (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide?
(3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methylsulfonyl-N-[(1S)-1-(4-methylsulfonylphenyl)propyl]piperidine-3-carboxamide is sourced from PubChem (CID 95118292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).