(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine

C14H27NO2S — CID 107190081

IUPAC(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCC1CCCC1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO2S/c1-10-5-3-8-13(10)14(15)11-6-4-7-12(9-11)18(2,16)17/h10-14H,3-9,15H2,1-2H3
InChIKeySUWUXIALKRENSF-UHFFFAOYSA-N
MW273.44 g/mol
LogP2.35
Rot. Bonds3

About (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine

(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine (PubChem CID 107190081) has the molecular formula C14H27NO2S and a molecular weight of 273.44 g/mol. Its IUPAC name is (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
PubChem CID107190081
Molecular FormulaC14H27NO2S
Molecular Weight273.44 g/mol
Exact Mass273.18
IUPAC Name(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine
SMILESCC1CCCC1C(N)C1CCCC(S(C)(=O)=O)C1
InChIInChI=1S/C14H27NO2S/c1-10-5-3-8-13(10)14(15)11-6-4-7-12(9-11)18(2,16)17/h10-14H,3-9,15H2,1-2H3
InChIKeySUWUXIALKRENSF-UHFFFAOYSA-N
XLogP2.35
TPSA60.16 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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,4-dimethylcyclohexyl)-(2-methylcyclopentyl)methanamine
CID 107189199
(2R)-2-amino-2-(3-methylsulfonylcyclohexyl)acetic acid
CID 106702897
(2-methylfuran-3-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 104789652
[cyclopentyl-(3-methylsulfonylcyclohexyl)methyl]hydrazine
CID 105204403
(3,5-dibromophenyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 107976498
cyclooctyl-(3-methylsulfonylcyclohexyl)methanol
CID 80604080
dimethyl 2-(3-methylsulfonylcyclohexyl)propanedioate
CID 103972496
(1-methoxy-4-methylcyclohexyl)-(3-methylsulfonylcyclohexyl)methanamine
CID 116766121
(4,5-dimethylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014321
(3-methylsulfonylcyclohexyl)-(3-methylthiophen-2-yl)methanamine
CID 105014295
2-amino-1-(3-methylsulfonylcyclohexyl)propan-1-one
CID 116551695
(5-bromo-4-methylthiophen-2-yl)-(3-methylsulfonylcyclohexyl)methanamine
CID 105014349

Frequently Asked Questions

What is the IUPAC name of (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine?
The IUPAC name of (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine (CID 107190081) is (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine.
What is the SMILES notation for (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine?
The canonical SMILES for (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine is CC1CCCC1C(N)C1CCCC(S(C)(=O)=O)C1.
What is the InChIKey of (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine?
The InChIKey is SUWUXIALKRENSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2S/c1-10-5-3-8-13(10)14(15)11-6-4-7-12(9-11)18(2,16)17/h10-14H,3-9,15H2,1-2H3.
What are the key properties of (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine?
(2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine has a molecular weight of 273.44 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylcyclopentyl)-(3-methylsulfonylcyclohexyl)methanamine is sourced from PubChem (CID 107190081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).