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

C14H24N4O2S — CID 102866380

IUPACN-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H24N4O2S/c1-11(2)18-10-15-16-14(18)21-9-13(20)17(7-4-8-19)12-5-3-6-12/h10-12,19H,3-9H2,1-2H3
InChIKeyIAJIGSJUOGVEHF-UHFFFAOYSA-N
MW312.44 g/mol
LogP1.71
Rot. Bonds8

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

N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 102866380) has the molecular formula C14H24N4O2S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID102866380
Molecular FormulaC14H24N4O2S
Molecular Weight312.44 g/mol
Exact Mass312.16
IUPAC NameN-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCC(C)n1cnnc1SCC(=O)N(CCCO)C1CCC1
InChIInChI=1S/C14H24N4O2S/c1-11(2)18-10-15-16-14(18)21-9-13(20)17(7-4-8-19)12-5-3-6-12/h10-12,19H,3-9H2,1-2H3
InChIKeyIAJIGSJUOGVEHF-UHFFFAOYSA-N
XLogP1.71
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 102866380) is N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CC(C)n1cnnc1SCC(=O)N(CCCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is IAJIGSJUOGVEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2S/c1-11(2)18-10-15-16-14(18)21-9-13(20)17(7-4-8-19)12-5-3-6-12/h10-12,19H,3-9H2,1-2H3.
What are the key properties of N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 312.44 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(3-hydroxypropyl)-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 102866380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).