2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

C15H23N3O2S — CID 75435050

IUPAC2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(C)(C)n1ccnc1SCC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)18-7-6-16-14(18)21-10-13(20)17-12-5-4-11(8-12)9-19/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyKCDRXLOAGLCZJG-NWDGAFQWSA-N
MW309.44 g/mol
LogP1.78
Rot. Bonds5

About 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide

2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (PubChem CID 75435050) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.

Molecular Properties

Compound Name2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
PubChem CID75435050
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
SMILESCC(C)(C)n1ccnc1SCC(=O)N[C@@H]1C=C[C@H](CO)C1
InChIInChI=1S/C15H23N3O2S/c1-15(2,3)18-7-6-16-14(18)21-10-13(20)17-12-5-4-11(8-12)9-19/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,20)/t11-,12+/m0/s1
InChIKeyKCDRXLOAGLCZJG-NWDGAFQWSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 111661620
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-3-(2-methylimidazol-1-yl)propyl]urea
CID 111630821
2-(2-ethyl-1,3-thiazol-4-yl)-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide
CID 111697089
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(4-phenylphenyl)acetamide
CID 111661356
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 111661550
N-[2-[[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]amino]-2-oxoethyl]-N-methylbenzamide
CID 111696877
N-(dicyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 30605276
N-[(1S,2R)-2-methylcyclohexyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 40529252
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-[2-methyl-2-(2-methylphenyl)propyl]urea
CID 111630847
4-ethyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylthiophene-2-carboxamide
CID 111661538
N-(cyclopropylmethyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 47144441

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The IUPAC name of 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide (CID 75435050) is 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide.
What is the SMILES notation for 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The canonical SMILES for 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is CC(C)(C)n1ccnc1SCC(=O)N[C@@H]1C=C[C@H](CO)C1.
What is the InChIKey of 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
The InChIKey is KCDRXLOAGLCZJG-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-15(2,3)18-7-6-16-14(18)21-10-13(20)17-12-5-4-11(8-12)9-19/h4-7,11-12,19H,8-10H2,1-3H3,(H,17,20)/t11-,12+/m0/s1.
What are the key properties of 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide?
2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylimidazol-2-yl)sulfanyl-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]acetamide is sourced from PubChem (CID 75435050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).