3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol

C13H21NO3S — CID 61145734

IUPAC3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)12-5-7-13(8-6-12)18(3,16)17/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyFOZNVHQYXIJNOA-UHFFFAOYSA-N
MW271.38 g/mol
LogP1.69
Rot. Bonds6

About 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol

3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol (PubChem CID 61145734) has the molecular formula C13H21NO3S and a molecular weight of 271.38 g/mol. Its IUPAC name is 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol.

Molecular Properties

Compound Name3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
PubChem CID61145734
Molecular FormulaC13H21NO3S
Molecular Weight271.38 g/mol
Exact Mass271.12
IUPAC Name3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol
SMILESCC(C)N(CCCO)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)12-5-7-13(8-6-12)18(3,16)17/h5-8,11,15H,4,9-10H2,1-3H3
InChIKeyFOZNVHQYXIJNOA-UHFFFAOYSA-N
XLogP1.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-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

3-(4-ethylsulfonyl-N-propan-2-ylanilino)propan-1-ol
CID 61146549
2-[4-(difluoromethylsulfonyl)-N-propan-2-ylanilino]ethanol
CID 61146204
2-(N-propan-2-yl-4-propylsulfonylanilino)ethanol
CID 61147145
4-[2-hydroxyethyl(propan-2-yl)amino]-N-propylbenzenesulfonamide
CID 61146670
3-[N-propan-2-yl-4-(propylaminomethyl)anilino]propan-1-ol
CID 54994250
1-[2-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]phenyl]ethanone
CID 79600216
6-[N-(6-hydroxyhexyl)-4-[2-(4-methylsulfonylphenyl)ethenyl]anilino]hexan-1-ol
CID 54060983
3-[4-(hydroxymethyl)-3-methyl-N-propan-2-ylanilino]propan-1-ol
CID 62135214
3-amino-4-[3-hydroxypropyl(propan-2-yl)amino]benzenesulfonamide
CID 54993716
2-(1-hydroxyethyl)-5-[3-hydroxypropyl(propan-2-yl)amino]phenol
CID 79603670
N'-[4-(difluoromethylsulfonyl)phenyl]-N'-propan-2-ylpropane-1,3-diamine
CID 60870242
6-[3-hydroxypropyl(propan-2-yl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103341229

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The IUPAC name of 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol (CID 61145734) is 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol.
What is the SMILES notation for 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The canonical SMILES for 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol is CC(C)N(CCCO)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
The InChIKey is FOZNVHQYXIJNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3S/c1-11(2)14(9-4-10-15)12-5-7-13(8-6-12)18(3,16)17/h5-8,11,15H,4,9-10H2,1-3H3.
What are the key properties of 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol?
3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol has a molecular weight of 271.38 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylsulfonyl-N-propan-2-ylanilino)propan-1-ol is sourced from PubChem (CID 61145734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).