2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide

C12H19N3O3S — CID 82725123

IUPAC2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCOC2C)cc1N
InChIInChI=1S/C12H19N3O3S/c1-8-11(5-6-18-8)15-9-3-4-12(10(13)7-9)19(16,17)14-2/h3-4,7-8,11,14-15H,5-6,13H2,1-2H3
InChIKeyHDTNIXZIXIHOTK-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.77
Rot. Bonds4

About 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide

2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (PubChem CID 82725123) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
PubChem CID82725123
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC2CCOC2C)cc1N
InChIInChI=1S/C12H19N3O3S/c1-8-11(5-6-18-8)15-9-3-4-12(10(13)7-9)19(16,17)14-2/h3-4,7-8,11,14-15H,5-6,13H2,1-2H3
InChIKeyHDTNIXZIXIHOTK-UHFFFAOYSA-N
XLogP0.77
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-methyl-4-[(2-methylcyclopropyl)amino]benzenesulfonamide
CID 80646231
2-amino-N-methyl-4-[2-(oxolan-2-yl)ethylamino]benzenesulfonamide
CID 80646014
2-amino-4-[(2,2-dimethyloxan-4-yl)amino]-N-methylbenzenesulfonamide
CID 83035007
2-amino-4-[(2,2-dimethylcyclopropyl)amino]-N-methylbenzenesulfonamide
CID 80646229
2-amino-4-(2-cyclopentylethylamino)-N-methylbenzenesulfonamide
CID 80646367
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
[3-[(2-methyloxolan-3-yl)amino]phenyl]urea
CID 82727169
2-amino-N-methyl-4-[(1-methyl-6-oxopiperidin-3-yl)amino]benzenesulfonamide
CID 80641727
2-amino-N-methyl-4-[(5-oxopyrrolidin-3-yl)amino]benzenesulfonamide
CID 106183085
N-[2-fluoro-5-[(2-methyloxolan-3-yl)amino]phenyl]methanesulfonamide
CID 82727389
2-amino-4-(3-cyclopentylpropylamino)-N-methylbenzenesulfonamide
CID 106007200
N-(3,4-dimethoxyphenyl)-2-methyloxolan-3-amine
CID 82716607

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide (CID 82725123) is 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC2CCOC2C)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
The InChIKey is HDTNIXZIXIHOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-8-11(5-6-18-8)15-9-3-4-12(10(13)7-9)19(16,17)14-2/h3-4,7-8,11,14-15H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide has a molecular weight of 285.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[(2-methyloxolan-3-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82725123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).