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

C14H24N4OS — CID 6470235

IUPACN-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-3-18-11(2)16-17-14(18)20-10-13(19)15-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyHPKBNHDSTSLILD-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.54
Rot. Bonds5

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

N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (PubChem CID 6470235) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
PubChem CID6470235
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
SMILESCCn1c(C)nnc1SCC(=O)NC1CCCCCC1
InChIInChI=1S/C14H24N4OS/c1-3-18-11(2)16-17-14(18)20-10-13(19)15-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,19)
InChIKeyHPKBNHDSTSLILD-UHFFFAOYSA-N
XLogP2.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide (CID 6470235) is N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is CCn1c(C)nnc1SCC(=O)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The InChIKey is HPKBNHDSTSLILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-18-11(2)16-17-14(18)20-10-13(19)15-12-8-6-4-5-7-9-12/h12H,3-10H2,1-2H3,(H,15,19).
What are the key properties of N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide?
N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide has a molecular weight of 296.44 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(4-ethyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 6470235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).