1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol

C10H21NO3S — CID 65108571

IUPAC1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(13,14)8-7-11-9-10(12)5-3-4-6-10/h11-12H,2-9H2,1H3
InChIKeyCNRAPLFSYFDWLV-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.32
Rot. Bonds6

About 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol

1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol (PubChem CID 65108571) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol
PubChem CID65108571
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)CCNCC1(O)CCCC1
InChIInChI=1S/C10H21NO3S/c1-2-15(13,14)8-7-11-9-10(12)5-3-4-6-10/h11-12H,2-9H2,1H3
InChIKeyCNRAPLFSYFDWLV-UHFFFAOYSA-N
XLogP0.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.32
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-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol (CID 65108571) is 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol is CCS(=O)(=O)CCNCC1(O)CCCC1.
What is the InChIKey of 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol?
The InChIKey is CNRAPLFSYFDWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-2-15(13,14)8-7-11-9-10(12)5-3-4-6-10/h11-12H,2-9H2,1H3.
What are the key properties of 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol?
1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylsulfonylethylamino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 65108571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).