N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine

C11H23NO2S — CID 64676229

IUPACN-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
SMILESCNCCCS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C11H23NO2S/c1-10-5-3-6-11(9-10)15(13,14)8-4-7-12-2/h10-12H,3-9H2,1-2H3
InChIKeyBGLMFMSBJQJEMA-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.59
Rot. Bonds5

About N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine

N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine (PubChem CID 64676229) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
PubChem CID64676229
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC NameN-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine
SMILESCNCCCS(=O)(=O)C1CCCC(C)C1
InChIInChI=1S/C11H23NO2S/c1-10-5-3-6-11(9-10)15(13,14)8-4-7-12-2/h10-12H,3-9H2,1-2H3
InChIKeyBGLMFMSBJQJEMA-UHFFFAOYSA-N
XLogP1.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine?
The IUPAC name of N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine (CID 64676229) is N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine.
What is the SMILES notation for N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine?
The canonical SMILES for N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine is CNCCCS(=O)(=O)C1CCCC(C)C1.
What is the InChIKey of N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine?
The InChIKey is BGLMFMSBJQJEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-10-5-3-6-11(9-10)15(13,14)8-4-7-12-2/h10-12H,3-9H2,1-2H3.
What are the key properties of N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine?
N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine has a molecular weight of 233.38 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methylcyclohexyl)sulfonylpropan-1-amine is sourced from PubChem (CID 64676229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).