1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol

C11H23NO4S — CID 54934973

IUPAC1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCS(=O)(=O)CCNCC(O)COC1CCCC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)7-6-12-8-10(13)9-16-11-4-2-3-5-11/h10-13H,2-9H2,1H3
InChIKeyBDWIJPBMALIMLV-UHFFFAOYSA-N
MW265.37 g/mol
LogP-0.06
Rot. Bonds8

About 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol

1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol (PubChem CID 54934973) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
PubChem CID54934973
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol
SMILESCS(=O)(=O)CCNCC(O)COC1CCCC1
InChIInChI=1S/C11H23NO4S/c1-17(14,15)7-6-12-8-10(13)9-16-11-4-2-3-5-11/h10-13H,2-9H2,1H3
InChIKeyBDWIJPBMALIMLV-UHFFFAOYSA-N
XLogP-0.06
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-cyclopentyloxy-3-(2-cyclopentyloxyethylamino)propan-2-ol
CID 63827682
1-(butylamino)-3-cycloheptyloxypropan-2-ol
CID 3055663
1-cyclohexyloxy-3-(4-methylpentylamino)propan-2-ol
CID 60743809
1-cyclopentyloxy-3-(2-ethoxyethylamino)propan-2-ol
CID 60909932
3-[(3-cyclohexyloxy-2-hydroxypropyl)amino]propanamide
CID 54938816
1-ethoxy-3-(2-methylsulfonylethylamino)propan-2-ol
CID 63934625
1-cyclopentyloxy-3-[2-[ethyl(methyl)amino]ethylamino]propan-2-ol
CID 62636791
2-[(3-cyclohexyloxy-2-hydroxypropyl)amino]ethylurea
CID 83120361
3-[[(3-cyclopentyloxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111381
1-cyclopentyloxy-3-(2-methoxypropylamino)propan-2-ol
CID 102697876
1-[(3-cyclopentyloxy-2-hydroxypropyl)amino]-4,4-dimethylpentan-2-ol
CID 107152057
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol (CID 54934973) is 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol is CS(=O)(=O)CCNCC(O)COC1CCCC1.
What is the InChIKey of 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol?
The InChIKey is BDWIJPBMALIMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-17(14,15)7-6-12-8-10(13)9-16-11-4-2-3-5-11/h10-13H,2-9H2,1H3.
What are the key properties of 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol?
1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol has a molecular weight of 265.37 g/mol, XLogP of -0.06, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(2-methylsulfonylethylamino)propan-2-ol is sourced from PubChem (CID 54934973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).