N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C12H18N4OS — CID 8516816

IUPACN-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1=CCCCC1
InChIInChI=1S/C12H18N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h6,9H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyRSUAKUWSNSXNNJ-UHFFFAOYSA-N
MW266.37 g/mol
LogP2.20
Rot. Bonds5

About N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 8516816) has the molecular formula C12H18N4OS and a molecular weight of 266.37 g/mol. Its IUPAC name is N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID8516816
Molecular FormulaC12H18N4OS
Molecular Weight266.37 g/mol
Exact Mass266.12
IUPAC NameN-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESCCN(C(=O)CSc1ncn[nH]1)C1=CCCCC1
InChIInChI=1S/C12H18N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h6,9H,2-5,7-8H2,1H3,(H,13,14,15)
InChIKeyRSUAKUWSNSXNNJ-UHFFFAOYSA-N
XLogP2.20
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 8516816) is N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is CCN(C(=O)CSc1ncn[nH]1)C1=CCCCC1.
What is the InChIKey of N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is RSUAKUWSNSXNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4OS/c1-2-16(10-6-4-3-5-7-10)11(17)8-18-12-13-9-14-15-12/h6,9H,2-5,7-8H2,1H3,(H,13,14,15).
What are the key properties of N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 266.37 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexen-1-yl)-N-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 8516816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).