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

C13H21NO3S — CID 55168818

IUPAC2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
SMILESCS(=O)(=O)CCCNC(CO)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-18(16,17)9-5-8-14-13(11-15)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyAFDZGJWYBBFRRV-UHFFFAOYSA-N
MW271.38 g/mol
LogP0.61
Rot. Bonds8

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

2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol (PubChem CID 55168818) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
PubChem CID55168818
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol
SMILESCS(=O)(=O)CCCNC(CO)Cc1ccccc1
InChIInChI=1S/C13H21NO3S/c1-18(16,17)9-5-8-14-13(11-15)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3
InChIKeyAFDZGJWYBBFRRV-UHFFFAOYSA-N
XLogP0.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]butanoate
CID 55169386
2-(heptylamino)-3-phenylpropan-1-ol
CID 63260589
(2R)-3-phenyl-2-(propylamino)propan-1-ol
CID 59859919
2-amino-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylsulfonylbutanamide
CID 107860995
4-[(4-hydroxy-1-phenylbutan-2-yl)amino]butane-1-sulfonic acid
CID 87150595
2-(2-ethoxyethylamino)-3-phenylpropan-1-ol
CID 63261508
2-[2-(4-methylpiperazin-1-yl)ethylamino]-3-phenylpropan-1-ol
CID 82889725
(2S)-2-(2-methylpropylamino)-3-phenylpropan-1-ol
CID 102610095
3-phenyl-2-(2-thiophen-2-ylethylamino)propan-1-ol
CID 63775301
methyl (3R)-3-(3-methylsulfonylpropylsulfonylamino)-4-phenylbutanoate
CID 96527775
[(2R)-3-hydroxy-2-(sulfamoylamino)propyl]benzene
CID 104923639
methyl 4-[[1-hydroxy-3-[4-(4-methylsulfonylphenyl)phenyl]propan-2-yl]amino]butanoate
CID 123256147

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol?
The IUPAC name of 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol (CID 55168818) is 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol.
What is the SMILES notation for 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol?
The canonical SMILES for 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol is CS(=O)(=O)CCCNC(CO)Cc1ccccc1.
What is the InChIKey of 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol?
The InChIKey is AFDZGJWYBBFRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-18(16,17)9-5-8-14-13(11-15)10-12-6-3-2-4-7-12/h2-4,6-7,13-15H,5,8-11H2,1H3.
What are the key properties of 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol?
2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol has a molecular weight of 271.38 g/mol, XLogP of 0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylsulfonylpropylamino)-3-phenylpropan-1-ol is sourced from PubChem (CID 55168818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).