3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine

C16H31NO2S — CID 75422581

IUPAC3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
SMILESCC1CC(NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1
InChIInChI=1S/C16H31NO2S/c1-12-8-14(11-16(2,3)10-12)17-13-6-5-7-15(9-13)20(4,18)19/h12-15,17H,5-11H2,1-4H3
InChIKeyCJVLKOWSASLNRI-UHFFFAOYSA-N
MW301.50 g/mol
LogP3.15
Rot. Bonds3

About 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine

3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine (PubChem CID 75422581) has the molecular formula C16H31NO2S and a molecular weight of 301.50 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
PubChem CID75422581
Molecular FormulaC16H31NO2S
Molecular Weight301.50 g/mol
Exact Mass301.21
IUPAC Name3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine
SMILESCC1CC(NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1
InChIInChI=1S/C16H31NO2S/c1-12-8-14(11-16(2,3)10-12)17-13-6-5-7-15(9-13)20(4,18)19/h12-15,17H,5-11H2,1-4H3
InChIKeyCJVLKOWSASLNRI-UHFFFAOYSA-N
XLogP3.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.50
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine (CID 75422581) is 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine is CC1CC(NC2CCCC(S(C)(=O)=O)C2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
The InChIKey is CJVLKOWSASLNRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2S/c1-12-8-14(11-16(2,3)10-12)17-13-6-5-7-15(9-13)20(4,18)19/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine?
3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine has a molecular weight of 301.50 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-(3-methylsulfonylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 75422581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).