(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide

C17H28N2O3S2 — CID 100901271

IUPAC(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C(C)C)C1
InChIInChI=1S/C17H28N2O3S2/c1-4-11-24(21,22)19-9-5-7-14(12-19)17(20)18-16(13(2)3)15-8-6-10-23-15/h6,8,10,13-14,16H,4-5,7,9,11-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyUMYDSPOLIAZMEA-ZBFHGGJFSA-N
MW372.56 g/mol
LogP3.01
Rot. Bonds7

About (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide

(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide (PubChem CID 100901271) has the molecular formula C17H28N2O3S2 and a molecular weight of 372.56 g/mol. Its IUPAC name is (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
PubChem CID100901271
Molecular FormulaC17H28N2O3S2
Molecular Weight372.56 g/mol
Exact Mass372.15
IUPAC Name(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C(C)C)C1
InChIInChI=1S/C17H28N2O3S2/c1-4-11-24(21,22)19-9-5-7-14(12-19)17(20)18-16(13(2)3)15-8-6-10-23-15/h6,8,10,13-14,16H,4-5,7,9,11-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyUMYDSPOLIAZMEA-ZBFHGGJFSA-N
XLogP3.01
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-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

(3R)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 9143984
(3S)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide
CID 51943392
(3S)-1-N,1-N-diethyl-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-1,3-dicarboxamide
CID 51941096
N-butan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 51228957
N-(2-methyl-1-thiophen-2-ylpropyl)-1-thiophen-2-ylsulfonylpiperidine-4-carboxamide
CID 17462186
N-propan-2-yl-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide
CID 3239956
(3S)-3-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9143956
(3R)-N-[(2R)-2-phenylpropyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 98679681
(3R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956068
N',N'-diphenyl-1-propylsulfonylpiperidine-3-carbohydrazide
CID 55752735
N-(1,1-diphenylethyl)-1-propylsulfonylpiperidine-3-carboxamide
CID 56522619
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide (CID 100901271) is (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide is CCCS(=O)(=O)N1CCC[C@@H](C(=O)N[C@H](c2cccs2)C(C)C)C1.
What is the InChIKey of (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
The InChIKey is UMYDSPOLIAZMEA-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H28N2O3S2/c1-4-11-24(21,22)19-9-5-7-14(12-19)17(20)18-16(13(2)3)15-8-6-10-23-15/h6,8,10,13-14,16H,4-5,7,9,11-12H2,1-3H3,(H,18,20)/t14-,16+/m1/s1.
What are the key properties of (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide?
(3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide has a molecular weight of 372.56 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]-1-propylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 100901271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).