N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C10H16N4OS — CID 6464817

IUPACN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C10H16N4OS/c1-14-7-11-13-10(14)16-6-9(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyCYYZFVIQEBGQEG-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.97
Rot. Bonds4

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

N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6464817) has the molecular formula C10H16N4OS and a molecular weight of 240.33 g/mol. Its IUPAC name is N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6464817
Molecular FormulaC10H16N4OS
Molecular Weight240.33 g/mol
Exact Mass240.10
IUPAC NameN-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NC1CCCC1
InChIInChI=1S/C10H16N4OS/c1-14-7-11-13-10(14)16-6-9(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyCYYZFVIQEBGQEG-UHFFFAOYSA-N
XLogP0.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6464817) is N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is CYYZFVIQEBGQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS/c1-14-7-11-13-10(14)16-6-9(15)12-8-4-2-3-5-8/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 240.33 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6464817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).