4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

C14H27NO2S — CID 64676428

IUPAC4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)(=O)C2CC(C)CCC2N)C1
InChIInChI=1S/C14H27NO2S/c1-10-4-3-5-12(8-10)18(16,17)14-9-11(2)6-7-13(14)15/h10-14H,3-9,15H2,1-2H3
InChIKeyHNDPYIUIKLCBMH-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.50
Rot. Bonds2

About 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine

4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (PubChem CID 64676428) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
PubChem CID64676428
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
SMILESCC1CCCC(S(=O)(=O)C2CC(C)CCC2N)C1
InChIInChI=1S/C14H27NO2S/c1-10-4-3-5-12(8-10)18(16,17)14-9-11(2)6-7-13(14)15/h10-14H,3-9,15H2,1-2H3
InChIKeyHNDPYIUIKLCBMH-UHFFFAOYSA-N
XLogP2.50
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(3-methylcyclohexyl)sulfonylcyclopentan-1-amine
CID 79863455
4-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 55115171
N-ethyl-4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64675834
[2-(3-methylcyclohexyl)sulfonyl-4-propylcyclohexyl]methanamine
CID 64696403
N-methyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717554
2-cyclohexylsulfonyl-N,4-dimethylcyclohexan-1-amine
CID 64673814
N-methyl-3-(3-methylcyclohexyl)sulfonyloxan-4-amine
CID 64676036
4-(3-methylcyclohexyl)sulfonylpiperidine;hydrochloride
CID 162106745
4-methyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759771
3-(3-methylcyclohexyl)sulfonyl-N-propylcyclohexan-1-amine
CID 64717553
3-cyclohexylsulfonyl-2-methylcyclopentan-1-amine
CID 64904082
N-ethyl-3-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64717552

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The IUPAC name of 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine (CID 64676428) is 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is CC1CCCC(S(=O)(=O)C2CC(C)CCC2N)C1.
What is the InChIKey of 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
The InChIKey is HNDPYIUIKLCBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10-4-3-5-12(8-10)18(16,17)14-9-11(2)6-7-13(14)15/h10-14H,3-9,15H2,1-2H3.
What are the key properties of 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine?
4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine is sourced from PubChem (CID 64676428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).