2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine

C13H25NO2S — CID 64675912

IUPAC2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C13H25NO2S/c1-14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-3-7-11/h11-14H,2-10H2,1H3
InChIKeyHFWGNKAMUPVNHV-UHFFFAOYSA-N
MW259.41 g/mol
LogP2.12
Rot. Bonds4

About 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine

2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine (PubChem CID 64675912) has the molecular formula C13H25NO2S and a molecular weight of 259.41 g/mol. Its IUPAC name is 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
PubChem CID64675912
Molecular FormulaC13H25NO2S
Molecular Weight259.41 g/mol
Exact Mass259.16
IUPAC Name2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine
SMILESCNC1CCCCC1S(=O)(=O)CC1CCCC1
InChIInChI=1S/C13H25NO2S/c1-14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-3-7-11/h11-14H,2-10H2,1H3
InChIKeyHFWGNKAMUPVNHV-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine?
The IUPAC name of 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine (CID 64675912) is 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine?
The canonical SMILES for 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine is CNC1CCCCC1S(=O)(=O)CC1CCCC1.
What is the InChIKey of 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine?
The InChIKey is HFWGNKAMUPVNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2S/c1-14-12-8-4-5-9-13(12)17(15,16)10-11-6-2-3-7-11/h11-14H,2-10H2,1H3.
What are the key properties of 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine?
2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine has a molecular weight of 259.41 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethylsulfonyl)-N-methylcyclohexan-1-amine is sourced from PubChem (CID 64675912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).