N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine

C12H23NO2S — CID 115910643

IUPACN-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-9-5-4-8-11(12)13-10-6-2-3-7-10/h10-13H,2-9H2,1H3
InChIKeyQALXWWFFIMOPRN-UHFFFAOYSA-N
MW245.39 g/mol
LogP1.87
Rot. Bonds3

About N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine

N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine (PubChem CID 115910643) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
PubChem CID115910643
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC NameN-cyclopentyl-2-methylsulfonylcyclohexan-1-amine
SMILESCS(=O)(=O)C1CCCCC1NC1CCCC1
InChIInChI=1S/C12H23NO2S/c1-16(14,15)12-9-5-4-8-11(12)13-10-6-2-3-7-10/h10-13H,2-9H2,1H3
InChIKeyQALXWWFFIMOPRN-UHFFFAOYSA-N
XLogP1.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 3852474
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CID 72716379
3-(Cyclohexylazaniumyl)propane-1-sulfonate
CID 12546061
2-(2-(Methylsulfonyl)ethyl)piperidine
CID 53485993
2-methanesulfonyl-N-methylcyclohexan-1-amine
CID 14615345
3-(Cyclohexylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 24279262
3-(Cyclopentylamino)-1lambda6-thiolane-1,1-dione
CID 4962278
N-(2-methyl-4-methylsulfonylbutan-2-yl)cyclohexanamine
CID 75483309
2-fluoro-N-methyl-5-methylsulfonylcyclohexan-1-amine
CID 123895490
3-methylsulfonyl-N-(2,2,2-trifluoroethyl)cyclohexan-1-amine
CID 80055864
3-methylsulfonyl-N-(3,3,3-trifluoropropyl)cyclohexan-1-amine
CID 80055953

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine?
The IUPAC name of N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine (CID 115910643) is N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine.
What is the SMILES notation for N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine?
The canonical SMILES for N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine is CS(=O)(=O)C1CCCCC1NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine?
The InChIKey is QALXWWFFIMOPRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-16(14,15)12-9-5-4-8-11(12)13-10-6-2-3-7-10/h10-13H,2-9H2,1H3.
What are the key properties of N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine?
N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine has a molecular weight of 245.39 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methylsulfonylcyclohexan-1-amine is sourced from PubChem (CID 115910643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).