4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C13H25NO2S — CID 55115171

IUPAC4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-10-3-2-4-13(9-10)17(15,16)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3
InChIKeyOYXNLMCITQPKIA-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.25
Rot. Bonds2

About 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 55115171) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID55115171
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)(=O)C2CCC(N)CC2)C1
InChIInChI=1S/C13H25NO2S/c1-10-3-2-4-13(9-10)17(15,16)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3
InChIKeyOYXNLMCITQPKIA-UHFFFAOYSA-N
XLogP2.25
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 55115171) is 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CC1CCCC(S(=O)(=O)C2CCC(N)CC2)C1.
What is the InChIKey of 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is OYXNLMCITQPKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-10-3-2-4-13(9-10)17(15,16)12-7-5-11(14)6-8-12/h10-13H,2-9,14H2,1H3.
What are the key properties of 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 55115171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).