(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

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Related Compounds

N-[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 71997464
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-4-methylpiperidine-1-sulfonamide
CID 164634300
5-(1,1-Difluoroethyl)-4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 84803173
5-(1,1-Difluoroethyl)-4-methyl-2-piperidin-3-yl-1,3-thiazole
CID 84803174
5-(1,1-Difluoroethyl)-4-methyl-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 84806597
5-(1,1-Difluoroethyl)-4-methyl-2-(piperidin-3-ylmethyl)-1,3-thiazole
CID 84806598
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azepane-1-sulfonamide
CID 47320515
2-Butan-2-yl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
CID 62548771
2,4-Dimethyl-5-piperidin-4-yl-1,3-thiazole
CID 82399289
2-(2,5-Dimethyl-1,3-thiazol-4-yl)ethanamine;propane
CID 145443790
1-(4-Ethyl-5-propan-2-yl-1,3-thiazol-2-yl)propan-2-amine
CID 151439314
4-Ethyl-5-methyl-2-(1-methylpiperidin-4-yl)-1,3-thiazole
CID 169110247

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).