2-(3-methylcyclohexyl)sulfanylbutanimidamide

C11H22N2S — CID 62721169

IUPAC2-(3-methylcyclohexyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(CC)SC1CCCC(C)C1
InChIInChI=1S/C11H22N2S/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeyVOKHOLJCIBZOQY-UHFFFAOYSA-N
MW214.38 g/mol
LogP3.01
Rot. Bonds4

About 2-(3-methylcyclohexyl)sulfanylbutanimidamide

2-(3-methylcyclohexyl)sulfanylbutanimidamide (PubChem CID 62721169) has the molecular formula C11H22N2S and a molecular weight of 214.38 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)sulfanylbutanimidamide.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)sulfanylbutanimidamide
PubChem CID62721169
Molecular FormulaC11H22N2S
Molecular Weight214.38 g/mol
Exact Mass214.15
IUPAC Name2-(3-methylcyclohexyl)sulfanylbutanimidamide
SMILES[H]/N=C(\N)C(CC)SC1CCCC(C)C1
InChIInChI=1S/C11H22N2S/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3,(H3,12,13)
InChIKeyVOKHOLJCIBZOQY-UHFFFAOYSA-N
XLogP3.01
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.38
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)sulfanylbutanimidamide?
The IUPAC name of 2-(3-methylcyclohexyl)sulfanylbutanimidamide (CID 62721169) is 2-(3-methylcyclohexyl)sulfanylbutanimidamide.
What is the SMILES notation for 2-(3-methylcyclohexyl)sulfanylbutanimidamide?
The canonical SMILES for 2-(3-methylcyclohexyl)sulfanylbutanimidamide is [H]/N=C(\N)C(CC)SC1CCCC(C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)sulfanylbutanimidamide?
The InChIKey is VOKHOLJCIBZOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2S/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h8-10H,3-7H2,1-2H3,(H3,12,13).
What are the key properties of 2-(3-methylcyclohexyl)sulfanylbutanimidamide?
2-(3-methylcyclohexyl)sulfanylbutanimidamide has a molecular weight of 214.38 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)sulfanylbutanimidamide is sourced from PubChem (CID 62721169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).