2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide

C14H24N2O3S — CID 65110251

IUPAC2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCC(C)(O)CC
InChIInChI=1S/C14H24N2O3S/c1-4-10-16-20(18,19)13-9-7-6-8-12(13)15-11-14(3,17)5-2/h6-9,15-17H,4-5,10-11H2,1-3H3
InChIKeyKVYPMNBVUAUKEY-UHFFFAOYSA-N
MW300.42 g/mol
LogP1.95
Rot. Bonds8

About 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide

2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide (PubChem CID 65110251) has the molecular formula C14H24N2O3S and a molecular weight of 300.42 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
PubChem CID65110251
Molecular FormulaC14H24N2O3S
Molecular Weight300.42 g/mol
Exact Mass300.15
IUPAC Name2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1ccccc1NCC(C)(O)CC
InChIInChI=1S/C14H24N2O3S/c1-4-10-16-20(18,19)13-9-7-6-8-12(13)15-11-14(3,17)5-2/h6-9,15-17H,4-5,10-11H2,1-3H3
InChIKeyKVYPMNBVUAUKEY-UHFFFAOYSA-N
XLogP1.95
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.42
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-3-[2-(propylsulfamoyl)anilino]propanamide
CID 106277705
2-(2,2-dimethylbutylamino)-N-ethylbenzenesulfonamide
CID 103462606
2-(ethylamino)-N-pentylbenzenesulfonamide
CID 62162464
2-[(3-hydroxy-4-methoxybutyl)amino]-N-propylbenzenesulfonamide
CID 106245938
2-[(1-methylimidazol-2-yl)methylamino]-N-propylbenzenesulfonamide
CID 63295525
2-[(2-hydroxycyclohexyl)amino]-N-propylbenzenesulfonamide
CID 62359065
2-[(1-amino-2,3-dimethylbutan-2-yl)amino]-N-propylbenzenesulfonamide
CID 115310851
1-(2-iodoanilino)-2-methylbutan-2-ol
CID 114492760
2-[3-(2-aminoethoxy)propylamino]-N-propylbenzenesulfonamide
CID 106308340
2-[(1-hydroxy-3-methoxypropan-2-yl)amino]-N-propylbenzenesulfonamide
CID 106186569
2-[1-(dimethylamino)propan-2-ylamino]-N-propylbenzenesulfonamide
CID 82938360
2-methoxy-N-propylbenzenesulfonamide
CID 23128752

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide?
The IUPAC name of 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide (CID 65110251) is 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1ccccc1NCC(C)(O)CC.
What is the InChIKey of 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide?
The InChIKey is KVYPMNBVUAUKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3S/c1-4-10-16-20(18,19)13-9-7-6-8-12(13)15-11-14(3,17)5-2/h6-9,15-17H,4-5,10-11H2,1-3H3.
What are the key properties of 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide?
2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide has a molecular weight of 300.42 g/mol, XLogP of 1.95, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylbutyl)amino]-N-propylbenzenesulfonamide is sourced from PubChem (CID 65110251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).