1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol

C11H23NO3S — CID 65111787

IUPAC1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCCNCC1(O)CCCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-5-8-12-10-11(13)6-3-4-7-11/h12-13H,2-10H2,1H3
InChIKeyMBHOZYCNGTVNDZ-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.71
Rot. Bonds7

About 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol

1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol (PubChem CID 65111787) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol
PubChem CID65111787
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC Name1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCCNCC1(O)CCCC1
InChIInChI=1S/C11H23NO3S/c1-2-16(14,15)9-5-8-12-10-11(13)6-3-4-7-11/h12-13H,2-10H2,1H3
InChIKeyMBHOZYCNGTVNDZ-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.71
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 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol (CID 65111787) is 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol is CCS(=O)(=O)CCCNCC1(O)CCCC1.
What is the InChIKey of 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol?
The InChIKey is MBHOZYCNGTVNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-2-16(14,15)9-5-8-12-10-11(13)6-3-4-7-11/h12-13H,2-10H2,1H3.
What are the key properties of 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol?
1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol has a molecular weight of 249.38 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethylsulfonylpropylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65111787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).