N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C15H26N4OS — CID 9290162

IUPACN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CSc2ncn[nH]2)CC1
InChIInChI=1S/C15H26N4OS/c1-4-15(2,3)11-5-7-12(8-6-11)18-13(20)9-21-14-16-10-17-19-14/h10-12H,4-9H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOENJQTODJNHOQC-UHFFFAOYSA-N
MW310.47 g/mol
LogP3.01
Rot. Bonds6

About N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 9290162) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID9290162
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCC(C)(C)C1CCC(NC(=O)CSc2ncn[nH]2)CC1
InChIInChI=1S/C15H26N4OS/c1-4-15(2,3)11-5-7-12(8-6-11)18-13(20)9-21-14-16-10-17-19-14/h10-12H,4-9H2,1-3H3,(H,18,20)(H,16,17,19)
InChIKeyOENJQTODJNHOQC-UHFFFAOYSA-N
XLogP3.01
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide with MolForge

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Related Compounds

N-tert-butyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 575336
N-pentan-3-yl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 7784986
N-cyclopentyl-2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzamide
CID 7784903
3-chloro-N-[4-(2-methylbutan-2-yl)cyclohexyl]propanamide
CID 43696457
2-cyclopropyl-2-(cyclopropylamino)-3-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 63916317
N-[[(1R,2S)-2-methylcyclohexyl]carbamoyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 8706857
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(tetrazol-1-yl)acetamide
CID 134029552
2-(5-amino-2-pyridinyl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 120618487
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 119691461
N-(3,4-dihydro-2H-chromen-4-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 17421944
N-[4-(diethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 974993
2-[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]acetamide
CID 18140839

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 9290162) is N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCC(C)(C)C1CCC(NC(=O)CSc2ncn[nH]2)CC1.
What is the InChIKey of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is OENJQTODJNHOQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-4-15(2,3)11-5-7-12(8-6-11)18-13(20)9-21-14-16-10-17-19-14/h10-12H,4-9H2,1-3H3,(H,18,20)(H,16,17,19).
What are the key properties of N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 310.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylbutan-2-yl)cyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 9290162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).