4-(3-methylsulfonylpropoxy)cyclohexan-1-amine

C10H21NO3S — CID 63191393

IUPAC4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCOC1CCC(N)CC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyDOEFCRUFUXXSBZ-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.71
Rot. Bonds5

About 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine

4-(3-methylsulfonylpropoxy)cyclohexan-1-amine (PubChem CID 63191393) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
PubChem CID63191393
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name4-(3-methylsulfonylpropoxy)cyclohexan-1-amine
SMILESCS(=O)(=O)CCCOC1CCC(N)CC1
InChIInChI=1S/C10H21NO3S/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3
InChIKeyDOEFCRUFUXXSBZ-UHFFFAOYSA-N
XLogP0.71
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine?
The IUPAC name of 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine (CID 63191393) is 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine is CS(=O)(=O)CCCOC1CCC(N)CC1.
What is the InChIKey of 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine?
The InChIKey is DOEFCRUFUXXSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-15(12,13)8-2-7-14-10-5-3-9(11)4-6-10/h9-10H,2-8,11H2,1H3.
What are the key properties of 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine?
4-(3-methylsulfonylpropoxy)cyclohexan-1-amine has a molecular weight of 235.35 g/mol, XLogP of 0.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylsulfonylpropoxy)cyclohexan-1-amine is sourced from PubChem (CID 63191393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).