N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

C11H18N4OS — CID 7784989

IUPACN-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H18N4OS/c1-8-4-2-3-5-9(8)14-10(16)6-17-11-12-7-13-15-11/h7-9H,2-6H2,1H3,(H,14,16)(H,12,13,15)/t8-,9-/m1/s1
InChIKeySXFXNHVUOVDKSC-RKDXNWHRSA-N
MW254.36 g/mol
LogP1.59
Rot. Bonds4

About N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide

N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (PubChem CID 7784989) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
PubChem CID7784989
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC NameN-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)CSc1ncn[nH]1
InChIInChI=1S/C11H18N4OS/c1-8-4-2-3-5-9(8)14-10(16)6-17-11-12-7-13-15-11/h7-9H,2-6H2,1H3,(H,14,16)(H,12,13,15)/t8-,9-/m1/s1
InChIKeySXFXNHVUOVDKSC-RKDXNWHRSA-N
XLogP1.59
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The IUPAC name of N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide (CID 7784989) is N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide.
What is the SMILES notation for N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The canonical SMILES for N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncn[nH]1.
What is the InChIKey of N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
The InChIKey is SXFXNHVUOVDKSC-RKDXNWHRSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-4-2-3-5-9(8)14-10(16)6-17-11-12-7-13-15-11/h7-9H,2-6H2,1H3,(H,14,16)(H,12,13,15)/t8-,9-/m1/s1.
What are the key properties of N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide?
N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide has a molecular weight of 254.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-methylcyclohexyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide is sourced from PubChem (CID 7784989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).