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

C12H20N4OS — CID 4814605

IUPACN-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H20N4OS/c1-16-9-14-15-12(16)18-8-11(17)13-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,17)
InChIKeyMSFRALWFNVXASQ-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.60
Rot. Bonds5

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

N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 4814605) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID4814605
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC NameN-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1cnnc1SCC(=O)NCC1CCCCC1
InChIInChI=1S/C12H20N4OS/c1-16-9-14-15-12(16)18-8-11(17)13-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,17)
InChIKeyMSFRALWFNVXASQ-UHFFFAOYSA-N
XLogP1.60
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2352744
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6464817
N-(4-methylcyclohexyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16329958
N-cyclohexyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 855555
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylcyclohexyl)acetamide
CID 3188532
N-(2-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 3314638
N-(4-methylcyclohexyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 16305128
1-(4-Methylpiperidin-1-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 2350523
N-(cyclohexylmethyl)-3-methylsulfanyl-1,2,4-triazole-4-carboxamide
CID 155554172
N-(2,3-dimethylcyclohexyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 16264419
2-(4-Methyl-4H-(1,2,4)triazol-3-ylsulfanyl)-N-tetradecyl-acetamide
CID 2802553
N-(cyclohexylmethyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 4878913

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 4814605) is N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1cnnc1SCC(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MSFRALWFNVXASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-16-9-14-15-12(16)18-8-11(17)13-7-10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,17).
What are the key properties of N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 268.39 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4814605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).