4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol

C15H25NO3S — CID 107153331

IUPAC4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
SMILESCCCS(=O)(=O)c1ccc(NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-9-20(18,19)15-7-5-13(6-8-15)16-11-14(17)10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyADEGMBWUZMZNKD-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.69
Rot. Bonds8

About 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol

4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol (PubChem CID 107153331) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
PubChem CID107153331
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol
SMILESCCCS(=O)(=O)c1ccc(NCC(O)CC(C)C)cc1
InChIInChI=1S/C15H25NO3S/c1-4-9-20(18,19)15-7-5-13(6-8-15)16-11-14(17)10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3
InChIKeyADEGMBWUZMZNKD-UHFFFAOYSA-N
XLogP2.69
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethylsulfonyl-N-(2-methylpropyl)aniline
CID 43453340
1-(4-ethylsulfonylanilino)-4,4-dimethylpentan-2-ol
CID 102846374
N-(4-propylsulfonylphenyl)hydroxylamine
CID 130500550
N-butyl-4-propylsulfonylaniline
CID 43453437
N-(5-chloro-4-methylpentyl)-4-propylsulfonylaniline
CID 106154661
N-(2-chloroethyl)-4-propylsulfonylaniline
CID 65030404
4-(4-propylsulfonylanilino)butan-1-ol
CID 106842632
4-propylsulfonylbenzenesulfonic acid
CID 163962227
4-methyl-1-(pyridin-4-ylamino)pentan-2-ol
CID 107153295
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442
N-(6-methylheptan-2-yl)-4-propylsulfonylaniline
CID 63540868
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol?
The IUPAC name of 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol (CID 107153331) is 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol.
What is the SMILES notation for 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol?
The canonical SMILES for 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol is CCCS(=O)(=O)c1ccc(NCC(O)CC(C)C)cc1.
What is the InChIKey of 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol?
The InChIKey is ADEGMBWUZMZNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-4-9-20(18,19)15-7-5-13(6-8-15)16-11-14(17)10-12(2)3/h5-8,12,14,16-17H,4,9-11H2,1-3H3.
What are the key properties of 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol?
4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol has a molecular weight of 299.44 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-propylsulfonylanilino)pentan-2-ol is sourced from PubChem (CID 107153331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).