[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol

C13H25NO3S — CID 65049673

IUPAC[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NC1CCCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)12-8-5-9-13(12,10-15)14-11-6-3-2-4-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyJGHPODPJRUVVEQ-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.24
Rot. Bonds4

About [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol

[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol (PubChem CID 65049673) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol
PubChem CID65049673
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol
SMILESCS(=O)(=O)C1CCCC1(CO)NC1CCCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)12-8-5-9-13(12,10-15)14-11-6-3-2-4-7-11/h11-12,14-15H,2-10H2,1H3
InChIKeyJGHPODPJRUVVEQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol?
The IUPAC name of [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol (CID 65049673) is [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol.
What is the SMILES notation for [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol?
The canonical SMILES for [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol is CS(=O)(=O)C1CCCC1(CO)NC1CCCCC1.
What is the InChIKey of [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol?
The InChIKey is JGHPODPJRUVVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)12-8-5-9-13(12,10-15)14-11-6-3-2-4-7-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol?
[1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol has a molecular weight of 275.41 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-2-methylsulfonylcyclopentyl]methanol is sourced from PubChem (CID 65049673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).