(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide

C17H27N3O3S2 — CID 97348515

IUPAC(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
SMILESCCc1nc(CC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1
InChIInChI=1S/C17H27N3O3S2/c1-2-16-18-14(12-24-16)10-17(21)20-9-5-8-15(11-20)25(22,23)19-13-6-3-4-7-13/h12-13,15,19H,2-11H2,1H3/t15-/m1/s1
InChIKeyPMKZQJQLPKURPE-OAHLLOKOSA-N
MW385.56 g/mol
LogP2.10
Rot. Bonds6

About (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide

(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide (PubChem CID 97348515) has the molecular formula C17H27N3O3S2 and a molecular weight of 385.56 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide.

Molecular Properties

Compound Name(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
PubChem CID97348515
Molecular FormulaC17H27N3O3S2
Molecular Weight385.56 g/mol
Exact Mass385.15
IUPAC Name(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide
SMILESCCc1nc(CC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1
InChIInChI=1S/C17H27N3O3S2/c1-2-16-18-14(12-24-16)10-17(21)20-9-5-8-15(11-20)25(22,23)19-13-6-3-4-7-13/h12-13,15,19H,2-11H2,1H3/t15-/m1/s1
InChIKeyPMKZQJQLPKURPE-OAHLLOKOSA-N
XLogP2.10
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide with MolForge

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Related Compounds

1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-carboxylic acid
CID 119136733
1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86866464
N-[1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]methanesulfonamide
CID 47035830
3-[1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanoic acid
CID 75472515
1-[2-(2-chlorophenyl)acetyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 126767287
N-cyclopentyl-1-(1,3-thiazole-4-carbonyl)piperidine-3-sulfonamide
CID 75476178
4-[3-(cyclopentylsulfamoyl)piperidin-1-yl]-4-oxobutanoic acid
CID 120551607
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594
1-(1,4-diazepan-1-yl)-2-(2-ethyl-1,3-thiazol-4-yl)ethanone;dihydrochloride
CID 119415665
2-[2-(1-ethoxyethyl)-1,3-thiazol-4-yl]-1-[3-(methylamino)piperidin-1-yl]ethanone;dihydrochloride
CID 119493097
2-(2-ethyl-1,3-thiazol-4-yl)-1-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95331190
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide?
The IUPAC name of (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide (CID 97348515) is (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide.
What is the SMILES notation for (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide?
The canonical SMILES for (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide is CCc1nc(CC(=O)N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)cs1.
What is the InChIKey of (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide?
The InChIKey is PMKZQJQLPKURPE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H27N3O3S2/c1-2-16-18-14(12-24-16)10-17(21)20-9-5-8-15(11-20)25(22,23)19-13-6-3-4-7-13/h12-13,15,19H,2-11H2,1H3/t15-/m1/s1.
What are the key properties of (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide?
(3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide has a molecular weight of 385.56 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-cyclopentyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-3-sulfonamide is sourced from PubChem (CID 97348515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).