N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide

C13H22N2O3S — CID 111543476

IUPACN-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide
SMILESCCC(CO)N(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-3-12(11-16)15(10-9-14-19(2,17)18)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyDKXHLXMBGJSMID-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.81
Rot. Bonds8

About N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide

N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide (PubChem CID 111543476) has the molecular formula C13H22N2O3S and a molecular weight of 286.40 g/mol. Its IUPAC name is N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide
PubChem CID111543476
Molecular FormulaC13H22N2O3S
Molecular Weight286.40 g/mol
Exact Mass286.14
IUPAC NameN-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide
SMILESCCC(CO)N(CCNS(C)(=O)=O)c1ccccc1
InChIInChI=1S/C13H22N2O3S/c1-3-12(11-16)15(10-9-14-19(2,17)18)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3
InChIKeyDKXHLXMBGJSMID-UHFFFAOYSA-N
XLogP0.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide 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

2-[N-(1-hydroxybutan-2-yl)anilino]acetonitrile
CID 111543401
2-[N-(1-hydroxybutan-2-yl)anilino]-N-(2-methylbutan-2-yl)acetamide
CID 111543424
methanesulfonamidomethyl(phenyl)carbamic acid
CID 89479428
2-[N-(1-hydroxybutan-2-yl)anilino]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 111543415
N-[4-[[N-(1-hydroxybutan-2-yl)anilino]methyl]-1,3-thiazol-2-yl]acetamide
CID 111825584
1-(N-ethylanilino)propane-1-sulfonic acid
CID 19352883
N-[2-(3-ethyl-N-[N-[2-(methanesulfonamido)ethyl]-3-propylanilino]anilino)ethyl]methanesulfonamide
CID 57227879
1-[N-(1-hydroxypropan-2-yl)anilino]propan-2-ol
CID 15026090
3-[benzyl(1-hydroxybutan-2-yl)amino]propanoic acid
CID 82327539
3-(4-methyl-N-pentan-3-ylanilino)propanoic acid
CID 65059736
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569
N-[2-(methanesulfonamido)ethyl]-N-(2-methylphenyl)acetamide
CID 113057355

Frequently Asked Questions

What is the IUPAC name of N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide (CID 111543476) is N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide is CCC(CO)N(CCNS(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide?
The InChIKey is DKXHLXMBGJSMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S/c1-3-12(11-16)15(10-9-14-19(2,17)18)13-7-5-4-6-8-13/h4-8,12,14,16H,3,9-11H2,1-2H3.
What are the key properties of N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide?
N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide has a molecular weight of 286.40 g/mol, XLogP of 0.81, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[N-(1-hydroxybutan-2-yl)anilino]ethyl]methanesulfonamide is sourced from PubChem (CID 111543476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).