N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

C17H24N4OS — CID 8522141

IUPACN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)N(C2=CCCCC2)C2CC2)nnc1C1CC1
InChIInChI=1S/C17H24N4OS/c1-20-16(12-7-8-12)18-19-17(20)23-11-15(22)21(14-9-10-14)13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyMTLJSJFYVRQCBZ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.23
Rot. Bonds6

About N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide

N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 8522141) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID8522141
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC NameN-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCn1c(SCC(=O)N(C2=CCCCC2)C2CC2)nnc1C1CC1
InChIInChI=1S/C17H24N4OS/c1-20-16(12-7-8-12)18-19-17(20)23-11-15(22)21(14-9-10-14)13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3
InChIKeyMTLJSJFYVRQCBZ-UHFFFAOYSA-N
XLogP3.23
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclohexen-1-yl)-N-cyclopropyl-2-(4,6-diaminopyrimidin-2-yl)sulfanylacetamide
CID 18193628
2-amino-3-[2-[cyclohexen-1-yl(cyclopropyl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43385370
2-bromo-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 81222527
2-[(3-amino-4-pyridinyl)sulfanyl]-N-(cyclohexen-1-yl)-N-cyclopropylacetamide
CID 43299581
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 8522909
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[4-(furan-2-ylmethyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 30765144
N-(cyclohexen-1-yl)-2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylacetamide
CID 46672760
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 18193555
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 18141196
N-cyclopentyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 6466056
2-[[5-(4-tert-butylphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexen-1-yl)-N-ethylacetamide
CID 18207319
1-[2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]pyrrolidin-2-one
CID 17405121

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 8522141) is N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is Cn1c(SCC(=O)N(C2=CCCCC2)C2CC2)nnc1C1CC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is MTLJSJFYVRQCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-20-16(12-7-8-12)18-19-17(20)23-11-15(22)21(14-9-10-14)13-5-3-2-4-6-13/h5,12,14H,2-4,6-11H2,1H3.
What are the key properties of N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 332.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-cyclopropyl-2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 8522141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).