2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol

C11H23NO3S — CID 64911358

IUPAC2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCCNCC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-16(14,15)8-4-7-12-9-10-5-2-3-6-11(10)13/h10-13H,2-9H2,1H3
InChIKeyFQEFBMLTMAUYMB-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.56
Rot. Bonds6

About 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol

2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol (PubChem CID 64911358) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol
PubChem CID64911358
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol
SMILESCS(=O)(=O)CCCNCC1CCCCC1O
InChIInChI=1S/C11H23NO3S/c1-16(14,15)8-4-7-12-9-10-5-2-3-6-11(10)13/h10-13H,2-9H2,1H3
InChIKeyFQEFBMLTMAUYMB-UHFFFAOYSA-N
XLogP0.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol (CID 64911358) is 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol is CS(=O)(=O)CCCNCC1CCCCC1O.
What is the InChIKey of 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol?
The InChIKey is FQEFBMLTMAUYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-16(14,15)8-4-7-12-9-10-5-2-3-6-11(10)13/h10-13H,2-9H2,1H3.
What are the key properties of 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol?
2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfonylpropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64911358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).