1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

C13H25NO3S — CID 65107544

IUPAC1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)12-7-5-6-11(12)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3
InChIKeySHGJQDWJRYMILG-UHFFFAOYSA-N
MW275.41 g/mol
LogP1.24
Rot. Bonds4

About 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol

1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (PubChem CID 65107544) has the molecular formula C13H25NO3S and a molecular weight of 275.41 g/mol. Its IUPAC name is 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
PubChem CID65107544
Molecular FormulaC13H25NO3S
Molecular Weight275.41 g/mol
Exact Mass275.16
IUPAC Name1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCCC1NCC1(O)CCCCC1
InChIInChI=1S/C13H25NO3S/c1-18(16,17)12-7-5-6-11(12)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3
InChIKeySHGJQDWJRYMILG-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-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol (CID 65107544) is 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is CS(=O)(=O)C1CCCC1NCC1(O)CCCCC1.
What is the InChIKey of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
The InChIKey is SHGJQDWJRYMILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3S/c1-18(16,17)12-7-5-6-11(12)14-10-13(15)8-3-2-4-9-13/h11-12,14-15H,2-10H2,1H3.
What are the key properties of 1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol?
1-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol 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-[[(2-methylsulfonylcyclopentyl)amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65107544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).