4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide

C15H25N3O3S2 — CID 51935304

IUPAC4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
SMILESCCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-4-5-12(2)16-15(19)17-8-10-18(11-9-17)23(20,21)14-7-6-13(3)22-14/h6-7,12H,4-5,8-11H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyKEXPGCLMHPZTJU-GFCCVEGCSA-N
MW359.52 g/mol
LogP2.26
Rot. Bonds5

About 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide

4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide (PubChem CID 51935304) has the molecular formula C15H25N3O3S2 and a molecular weight of 359.52 g/mol. Its IUPAC name is 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
PubChem CID51935304
Molecular FormulaC15H25N3O3S2
Molecular Weight359.52 g/mol
Exact Mass359.13
IUPAC Name4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide
SMILESCCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1
InChIInChI=1S/C15H25N3O3S2/c1-4-5-12(2)16-15(19)17-8-10-18(11-9-17)23(20,21)14-7-6-13(3)22-14/h6-7,12H,4-5,8-11H2,1-3H3,(H,16,19)/t12-/m1/s1
InChIKeyKEXPGCLMHPZTJU-GFCCVEGCSA-N
XLogP2.26
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-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

N-tert-butyl-4-(5-methylthiophen-2-yl)sulfonylpiperazine-1-carboxamide
CID 110811127
N-(3-methylbutan-2-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]acetamide
CID 17458832
N-butan-2-yl-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 46547457
4-(3,4-dimethoxyphenyl)sulfonyl-N-pentan-2-ylpiperazine-1-carboxamide
CID 46486070
N-tert-butyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]propanamide
CID 17457260
2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]pentanenitrile
CID 63341269
2-chloro-N-[3-methyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-1-oxobutan-2-yl]benzamide
CID 24680715
2-(4-methylphenyl)sulfanyl-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 46566261
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(1H-pyrrol-2-yl)methanone
CID 110805245
[4-(5-methylthiophen-2-yl)sulfonyl-1,4-diazepan-1-yl]-phenylmethanone
CID 110798201
1-(azepan-1-yl)-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone
CID 26390006
1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-thiophen-2-ylethanone
CID 33176973

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide (CID 51935304) is 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide is CCC[C@@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(C)s2)CC1.
What is the InChIKey of 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide?
The InChIKey is KEXPGCLMHPZTJU-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25N3O3S2/c1-4-5-12(2)16-15(19)17-8-10-18(11-9-17)23(20,21)14-7-6-13(3)22-14/h6-7,12H,4-5,8-11H2,1-3H3,(H,16,19)/t12-/m1/s1.
What are the key properties of 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide?
4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide has a molecular weight of 359.52 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylthiophen-2-yl)sulfonyl-N-[(2R)-pentan-2-yl]piperazine-1-carboxamide is sourced from PubChem (CID 51935304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).