3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine

C8H16N2O2S — CID 91397813

IUPAC3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine
SMILESC=C1CCCC(NS(=O)(=O)NC)C1
InChIInChI=1S/C8H16N2O2S/c1-7-4-3-5-8(6-7)10-13(11,12)9-2/h8-10H,1,3-6H2,2H3
InChIKeyICDXXDWOSUZNSW-UHFFFAOYSA-N
MW204.29 g/mol
LogP0.54
Rot. Bonds3

About 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine

3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine (PubChem CID 91397813) has the molecular formula C8H16N2O2S and a molecular weight of 204.29 g/mol. Its IUPAC name is 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine
PubChem CID91397813
Molecular FormulaC8H16N2O2S
Molecular Weight204.29 g/mol
Exact Mass204.09
IUPAC Name3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine
SMILESC=C1CCCC(NS(=O)(=O)NC)C1
InChIInChI=1S/C8H16N2O2S/c1-7-4-3-5-8(6-7)10-13(11,12)9-2/h8-10H,1,3-6H2,2H3
InChIKeyICDXXDWOSUZNSW-UHFFFAOYSA-N
XLogP0.54
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine?
The IUPAC name of 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine (CID 91397813) is 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine.
What is the SMILES notation for 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine?
The canonical SMILES for 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine is C=C1CCCC(NS(=O)(=O)NC)C1.
What is the InChIKey of 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine?
The InChIKey is ICDXXDWOSUZNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2S/c1-7-4-3-5-8(6-7)10-13(11,12)9-2/h8-10H,1,3-6H2,2H3.
What are the key properties of 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine?
3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine has a molecular weight of 204.29 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-(methylsulfamoyl)cyclohexan-1-amine is sourced from PubChem (CID 91397813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).