4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol

C11H23NO3S — CID 103816259

IUPAC4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)8-12-9-4-6-10(13)7-5-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBHBCGAFPDLMANQ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.70
Rot. Bonds4

About 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol

4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol (PubChem CID 103816259) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol
PubChem CID103816259
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol
SMILESCC(C)(CNC1CCC(O)CC1)S(C)(=O)=O
InChIInChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)8-12-9-4-6-10(13)7-5-9/h9-10,12-13H,4-8H2,1-3H3
InChIKeyBHBCGAFPDLMANQ-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol (CID 103816259) is 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol is CC(C)(CNC1CCC(O)CC1)S(C)(=O)=O.
What is the InChIKey of 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol?
The InChIKey is BHBCGAFPDLMANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-11(2,16(3,14)15)8-12-9-4-6-10(13)7-5-9/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol?
4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2-methylsulfonylpropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 103816259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).