N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine

C14H27NO2S — CID 104531364

IUPACN-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCC1(C)CCC(NC2CCCC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H27NO2S/c1-14(2)8-7-12(10-14)15-11-5-4-6-13(9-11)18(3,16)17/h11-13,15H,4-10H2,1-3H3
InChIKeyISYQUELVEBMMFF-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.51
Rot. Bonds3

About N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine

N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine (PubChem CID 104531364) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine
PubChem CID104531364
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine
SMILESCC1(C)CCC(NC2CCCC(S(C)(=O)=O)C2)C1
InChIInChI=1S/C14H27NO2S/c1-14(2)8-7-12(10-14)15-11-5-4-6-13(9-11)18(3,16)17/h11-13,15H,4-10H2,1-3H3
InChIKeyISYQUELVEBMMFF-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylcyclohexyl)-3-methylsulfonylcyclohexan-1-amine
CID 79032448
N-(3,3-dimethylcyclopentyl)cyclododecanamine
CID 114544295
N-(3,3-dimethylcyclopentyl)azepan-4-amine
CID 114544399
N-cyclopent-3-en-1-yl-3,3-dimethylcyclopentan-1-amine
CID 104531307
N-(3,3-dimethylcyclohexyl)-3,3,5,5-tetramethylcyclohexan-1-amine
CID 112682231
3,3-dimethyl-N-(3-propan-2-ylcyclobutyl)cyclopentan-1-amine
CID 103562428
4-[(3,3-dimethylcyclopentyl)amino]cyclohexan-1-ol
CID 80693267
2,3-dimethyl-3-[(3-methylsulfonylcyclohexyl)amino]butan-2-ol
CID 103993526
trans-(1R,3R)-N-(2-ethylbutyl)-3-methylsulfonylcyclohexan-1-amine
CID 97096018
N-[(1-methylcyclohexyl)-(3-methylsulfonylcyclohexyl)methyl]ethanamine
CID 106830384
N-methyl-1-(1-methylcyclohexyl)-1-(3-methylsulfonylcyclohexyl)methanamine
CID 106830383
1-(3-methylsulfonylcyclohexyl)-3-[2-(3,3,5-trimethylcyclohexyl)ethyl]urea
CID 166233203

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine (CID 104531364) is N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine is CC1(C)CCC(NC2CCCC(S(C)(=O)=O)C2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine?
The InChIKey is ISYQUELVEBMMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-14(2)8-7-12(10-14)15-11-5-4-6-13(9-11)18(3,16)17/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine?
N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine has a molecular weight of 273.44 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-3-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 104531364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).