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

C15H27N3O2S2 — CID 99846935

IUPAC(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCC[C@@H](C)C2)s1
InChIInChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3/t11-,13-/m1/s1
InChIKeyFZZTWTGZKCDTPK-DGCLKSJQSA-N
MW345.53 g/mol
LogP2.98
Rot. Bonds5

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

(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (PubChem CID 99846935) has the molecular formula C15H27N3O2S2 and a molecular weight of 345.53 g/mol. Its IUPAC name is (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
PubChem CID99846935
Molecular FormulaC15H27N3O2S2
Molecular Weight345.53 g/mol
Exact Mass345.15
IUPAC Name(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
SMILESCCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCC[C@@H](C)C2)s1
InChIInChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3/t11-,13-/m1/s1
InChIKeyFZZTWTGZKCDTPK-DGCLKSJQSA-N
XLogP2.98
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.53
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-(1-bromopropan-2-yl)-N,3-dimethylpiperidine-1-sulfonamide
CID 104556348
(3S)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide
CID 98672552
N-(3-amino-4-methylpentyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 115317600
N-(2-cyanopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 54983626
N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-methylpiperidine-1-sulfonamide
CID 71997194
2-methyl-3-[methyl-(3-methylpiperidin-1-yl)sulfonylamino]propanethioamide
CID 54991822
N-butyl-N-(2-hydroxyethyl)-3-methylpiperidine-1-sulfonamide
CID 61448219
N-[3-(aminomethyl)pentan-3-yl]-N,3-dimethylpiperidine-1-sulfonamide
CID 62009652
N-(3-aminopropyl)-N-ethyl-3-methylpiperidine-1-sulfonamide
CID 43136910
(3R)-N-(1H-benzimidazol-2-ylmethyl)-N,3-dimethylpiperidine-1-sulfonamide
CID 35385286
N-(cyclobutylmethyl)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethanamine
CID 115713252
2-[methyl-[(3R)-3-methylpiperidin-1-yl]sulfonylamino]acetamide
CID 94061322

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The IUPAC name of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide (CID 99846935) is (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)N2CCC[C@@H](C)C2)s1.
What is the InChIKey of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
The InChIKey is FZZTWTGZKCDTPK-DGCLKSJQSA-N. The full InChI is InChI=1S/C15H27N3O2S2/c1-6-14-16-12(3)15(21-14)13(4)17(5)22(19,20)18-9-7-8-11(2)10-18/h11,13H,6-10H2,1-5H3/t11-,13-/m1/s1.
What are the key properties of (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide?
(3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide has a molecular weight of 345.53 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl]-N,3-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 99846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).