(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide

C14H25N3O2S2 — CID 95281219

IUPAC(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCCc1nc(CCNS(=O)(=O)N2CCC[C@H](C)C2)sc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-13-12(3)20-14(16-13)7-8-15-21(18,19)17-9-5-6-11(2)10-17/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyGRKNJQGYGLSYNY-NSHDSACASA-N
MW331.51 g/mol
LogP2.12
Rot. Bonds6

About (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide

(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide (PubChem CID 95281219) has the molecular formula C14H25N3O2S2 and a molecular weight of 331.51 g/mol. Its IUPAC name is (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
PubChem CID95281219
Molecular FormulaC14H25N3O2S2
Molecular Weight331.51 g/mol
Exact Mass331.14
IUPAC Name(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
SMILESCCc1nc(CCNS(=O)(=O)N2CCC[C@H](C)C2)sc1C
InChIInChI=1S/C14H25N3O2S2/c1-4-13-12(3)20-14(16-13)7-8-15-21(18,19)17-9-5-6-11(2)10-17/h11,15H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyGRKNJQGYGLSYNY-NSHDSACASA-N
XLogP2.12
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide (CID 95281219) is (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide is CCc1nc(CCNS(=O)(=O)N2CCC[C@H](C)C2)sc1C.
What is the InChIKey of (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is GRKNJQGYGLSYNY-NSHDSACASA-N. The full InChI is InChI=1S/C14H25N3O2S2/c1-4-13-12(3)20-14(16-13)7-8-15-21(18,19)17-9-5-6-11(2)10-17/h11,15H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide?
(3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 331.51 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 95281219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).