3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

C15H23NO3S — CID 63858508

IUPAC3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(C)CC2CC2C)c1
InChIInChI=1S/C15H23NO3S/c1-4-15(17)12-6-5-7-14(9-12)20(18,19)16(3)10-13-8-11(13)2/h5-7,9,11,13,15,17H,4,8,10H2,1-3H3
InChIKeySMHOMHRIOLOYOS-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.41
Rot. Bonds6

About 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide

3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 63858508) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
PubChem CID63858508
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC Name3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)N(C)CC2CC2C)c1
InChIInChI=1S/C15H23NO3S/c1-4-15(17)12-6-5-7-14(9-12)20(18,19)16(3)10-13-8-11(13)2/h5-7,9,11,13,15,17H,4,8,10H2,1-3H3
InChIKeySMHOMHRIOLOYOS-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide 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-[[3-(1-hydroxypropyl)phenyl]sulfonyl-methylamino]-N,N-dimethylacetamide
CID 60873816
N-(1-cyclopropylethyl)-3-(1-hydroxypropyl)-N-methylbenzenesulfonamide
CID 60873070
4-hydroxy-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 63858811
N-(cyclopropylmethyl)-3-(1-hydroxypropyl)-N-propylbenzenesulfonamide
CID 61444156
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]benzene-1,4-disulfonamide
CID 63858844
4-amino-3-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide
CID 82844261
3-(1-hydroxypropyl)-N-(4-methylcyclohexyl)benzenesulfonamide
CID 60874374
N-(cyclobutylmethyl)-N-methyl-3-[1-(methylamino)propyl]benzenesulfonamide
CID 62862419
1-[3-(2,3-dimethylpiperidin-1-yl)sulfonylphenyl]propan-1-ol
CID 62124171
3-(1-hydroxypropyl)-N-pentan-3-ylbenzenesulfonamide
CID 60874171
1-(3-aminophenyl)-2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethanol
CID 63877706

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide (CID 63858508) is 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)N(C)CC2CC2C)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is SMHOMHRIOLOYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-15(17)12-6-5-7-14(9-12)20(18,19)16(3)10-13-8-11(13)2/h5-7,9,11,13,15,17H,4,8,10H2,1-3H3.
What are the key properties of 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide?
3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 297.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 63858508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).