2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine

C15H29NO2S — CID 64753286

IUPAC2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H29NO2S/c1-11-8-12(2)15(14(9-11)16-3)19(17,18)10-13-6-4-5-7-13/h11-16H,4-10H2,1-3H3
InChIKeyFFAUDFDLQSCJRJ-UHFFFAOYSA-N
MW287.47 g/mol
LogP2.61
Rot. Bonds4

About 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine

2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine (PubChem CID 64753286) has the molecular formula C15H29NO2S and a molecular weight of 287.47 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
PubChem CID64753286
Molecular FormulaC15H29NO2S
Molecular Weight287.47 g/mol
Exact Mass287.19
IUPAC Name2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C15H29NO2S/c1-11-8-12(2)15(14(9-11)16-3)19(17,18)10-13-6-4-5-7-13/h11-16H,4-10H2,1-3H3
InChIKeyFFAUDFDLQSCJRJ-UHFFFAOYSA-N
XLogP2.61
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylmethylsulfonyl)-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64753287
N,3,5-trimethyl-2-(oxolan-2-ylmethylsulfonyl)cyclohexan-1-amine
CID 106496093
2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
CID 64675912
3-(cyclopentylmethylsulfonyl)-N,2-dimethylcyclopentan-1-amine
CID 64903882
N-ethyl-3,5-dimethyl-2-(3-methylcyclohexyl)sulfonylcyclohexan-1-amine
CID 64751898
3,5-dimethyl-N-propyl-2-propylsulfonylcyclohexan-1-amine
CID 64752897
2-(2-bromophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752891
2-(2-fluorophenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752698
2-(2-ethylpiperidin-1-yl)-N,3,5-trimethylcyclohexan-1-amine
CID 64723403
2-(2,4-dimethylphenyl)sulfonyl-N,3,5-trimethylcyclohexan-1-amine
CID 64752881
trans-(1R,3R)-1-methyl-3-[(3-methylcyclobutyl)methylsulfonyl]cyclopentane
CID 130451457
N-ethyl-3,5-dimethyl-2-(2-methylbutylsulfonyl)cyclohexan-1-amine
CID 107759816

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine (CID 64753286) is 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine is CNC1CC(C)CC(C)C1S(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine?
The InChIKey is FFAUDFDLQSCJRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2S/c1-11-8-12(2)15(14(9-11)16-3)19(17,18)10-13-6-4-5-7-13/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine?
2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine has a molecular weight of 287.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-N,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 64753286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).