3-methyl-4-(2-propylsulfonylanilino)butan-1-ol

C14H23NO3S — CID 66107946

IUPAC3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NCC(C)CCO
InChIInChI=1S/C14H23NO3S/c1-3-10-19(17,18)14-7-5-4-6-13(14)15-11-12(2)8-9-16/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyUGEDRDNKVVUBEJ-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds8

About 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol

3-methyl-4-(2-propylsulfonylanilino)butan-1-ol (PubChem CID 66107946) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol.

Molecular Properties

Compound Name3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
PubChem CID66107946
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name3-methyl-4-(2-propylsulfonylanilino)butan-1-ol
SMILESCCCS(=O)(=O)c1ccccc1NCC(C)CCO
InChIInChI=1S/C14H23NO3S/c1-3-10-19(17,18)14-7-5-4-6-13(14)15-11-12(2)8-9-16/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyUGEDRDNKVVUBEJ-UHFFFAOYSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methyl-4-(2-propylsulfonylanilino)butan-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-[(2-propylsulfonylanilino)methyl]hexan-1-ol
CID 106115691
3-methyl-2-[(2-propylsulfonylanilino)methyl]butanoic acid
CID 65226606
N-ethyl-2-propylsulfonylaniline
CID 43453634
4,4-dimethyl-1-N-(2-propylsulfonylphenyl)pentane-1,2-diamine
CID 107159216
2-(2-propylsulfonylanilino)acetic acid
CID 43453612
N-(2-chloro-3-methoxypropyl)-2-propylsulfonylaniline
CID 65027838
5-(2-ethylsulfonylanilino)-2-methylpentan-1-ol
CID 102846516
2,2-difluoro-3-(2-propylsulfonylanilino)propan-1-ol
CID 106172244
2-propylsulfonyl-N-prop-2-ynylaniline
CID 62141091
N-(3-aminobutyl)-2-propylsulfonylbenzamide
CID 119498167
5-(2-propylsulfonylanilino)hexanoic acid
CID 82846703
1-methyl-3-(2-propylsulfonylphenyl)urea
CID 117061578

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol?
The IUPAC name of 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol (CID 66107946) is 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol.
What is the SMILES notation for 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol?
The canonical SMILES for 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol is CCCS(=O)(=O)c1ccccc1NCC(C)CCO.
What is the InChIKey of 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol?
The InChIKey is UGEDRDNKVVUBEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-10-19(17,18)14-7-5-4-6-13(14)15-11-12(2)8-9-16/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol?
3-methyl-4-(2-propylsulfonylanilino)butan-1-ol has a molecular weight of 285.41 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-propylsulfonylanilino)butan-1-ol is sourced from PubChem (CID 66107946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).