N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C15H26N4OS — CID 134050125

IUPACN-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NCCCC1CCCC1
InChIInChI=1S/C15H26N4OS/c1-12(2)19-11-17-18-15(19)21-10-14(20)16-9-5-8-13-6-3-4-7-13/h11-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyGKRCLMAAYGLJCC-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.04
Rot. Bonds8

About N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 134050125) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID134050125
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)NCCCC1CCCC1
InChIInChI=1S/C15H26N4OS/c1-12(2)19-11-17-18-15(19)21-10-14(20)16-9-5-8-13-6-3-4-7-13/h11-13H,3-10H2,1-2H3,(H,16,20)
InChIKeyGKRCLMAAYGLJCC-UHFFFAOYSA-N
XLogP3.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 134050125) is N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)NCCCC1CCCC1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is GKRCLMAAYGLJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-12(2)19-11-17-18-15(19)21-10-14(20)16-9-5-8-13-6-3-4-7-13/h11-13H,3-10H2,1-2H3,(H,16,20).
What are the key properties of N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 310.47 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 134050125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).