2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide

C15H25N3O2S — CID 7115448

IUPAC2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncc(CO)n1C1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-3-17(4-2)14(20)11-21-15-16-9-13(10-19)18(15)12-7-5-6-8-12/h9,12,19H,3-8,10-11H2,1-2H3
InChIKeyRXQHOJCUVGSGLP-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.45
Rot. Bonds7

About 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide

2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide (PubChem CID 7115448) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide
PubChem CID7115448
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CSc1ncc(CO)n1C1CCCC1
InChIInChI=1S/C15H25N3O2S/c1-3-17(4-2)14(20)11-21-15-16-9-13(10-19)18(15)12-7-5-6-8-12/h9,12,19H,3-8,10-11H2,1-2H3
InChIKeyRXQHOJCUVGSGLP-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide?
The IUPAC name of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide (CID 7115448) is 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide.
What is the SMILES notation for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide?
The canonical SMILES for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide is CCN(CC)C(=O)CSc1ncc(CO)n1C1CCCC1.
What is the InChIKey of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide?
The InChIKey is RXQHOJCUVGSGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-3-17(4-2)14(20)11-21-15-16-9-13(10-19)18(15)12-7-5-6-8-12/h9,12,19H,3-8,10-11H2,1-2H3.
What are the key properties of 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide?
2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide has a molecular weight of 311.45 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-5-(hydroxymethyl)imidazol-2-yl]sulfanyl-N,N-diethylacetamide is sourced from PubChem (CID 7115448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).