2-(3-methylsulfonylpropylamino)cycloheptan-1-ol

C11H23NO3S — CID 61020871

IUPAC2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
SMILESCS(=O)(=O)CCCNC1CCCCCC1O
InChIInChI=1S/C11H23NO3S/c1-16(14,15)9-5-8-12-10-6-3-2-4-7-11(10)13/h10-13H,2-9H2,1H3
InChIKeyJBYMIIKCUHXMAL-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.70
Rot. Bonds5

About 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol

2-(3-methylsulfonylpropylamino)cycloheptan-1-ol (PubChem CID 61020871) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol.

Molecular Properties

Compound Name2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
PubChem CID61020871
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name2-(3-methylsulfonylpropylamino)cycloheptan-1-ol
SMILESCS(=O)(=O)CCCNC1CCCCCC1O
InChIInChI=1S/C11H23NO3S/c1-16(14,15)9-5-8-12-10-6-3-2-4-7-11(10)13/h10-13H,2-9H2,1H3
InChIKeyJBYMIIKCUHXMAL-UHFFFAOYSA-N
XLogP0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

trans-(1S,2S)-2-(3-methylsulfonylpropylamino)cyclohexan-1-ol
CID 93451135
2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 61036604
trans-(1R,2R)-2-(3-methylsulfonylpropylamino)cyclopentan-1-ol
CID 93451298
trans-(1S,2S)-2-[2-[[(1R,2S)-2-hydroxycyclohexyl]amino]ethylamino]cyclohexan-1-ol
CID 92759264
trans-(1R,2R)-2-(pentylamino)cyclohexan-1-ol
CID 102730848
trans-(1S,2S)-2-(4-hydroxypentylamino)cyclohexan-1-ol
CID 106131373
2-(nonylamino)cyclohexan-1-ol
CID 62360571
2-(3-pyrrolidin-1-ylpropylamino)cycloheptan-1-ol
CID 55141909
2-(3-methylsulfonylpropyl)cycloheptan-1-ol
CID 63196152
trans-(1R,2R)-2-(3-cyclopropylpropylamino)cyclohexan-1-ol
CID 102731748
methyl 3-[[(1S,2S)-2-hydroxycyclohexyl]amino]propanoate
CID 102731054
trans-(1R,2R)-2-(4-methylsulfanylbutylamino)cyclohexan-1-ol
CID 102731704

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol?
The IUPAC name of 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol (CID 61020871) is 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol.
What is the SMILES notation for 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol?
The canonical SMILES for 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol is CS(=O)(=O)CCCNC1CCCCCC1O.
What is the InChIKey of 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol?
The InChIKey is JBYMIIKCUHXMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-16(14,15)9-5-8-12-10-6-3-2-4-7-11(10)13/h10-13H,2-9H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol?
2-(3-methylsulfonylpropylamino)cycloheptan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropylamino)cycloheptan-1-ol is sourced from PubChem (CID 61020871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).