2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide

C13H18N4O3S — CID 106387704

IUPAC2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ncc(C)o2)cc1N
InChIInChI=1S/C13H18N4O3S/c1-8-7-16-13(20-8)9(2)17-10-4-5-12(11(14)6-10)21(18,19)15-3/h4-7,9,15,17H,14H2,1-3H3
InChIKeyWBFVWEIQOUASBS-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide

2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide (PubChem CID 106387704) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
PubChem CID106387704
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(NC(C)c2ncc(C)o2)cc1N
InChIInChI=1S/C13H18N4O3S/c1-8-7-16-13(20-8)9(2)17-10-4-5-12(11(14)6-10)21(18,19)15-3/h4-7,9,15,17H,14H2,1-3H3
InChIKeyWBFVWEIQOUASBS-UHFFFAOYSA-N
XLogP1.65
TPSA110.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-methyl-4-(1-pyridin-3-ylethylamino)benzenesulfonamide
CID 80641118
2-methoxy-4-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,4-diamine
CID 114182306
5-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridine-2,5-diamine
CID 106387732
2-amino-5-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzonitrile
CID 114182305
2-amino-N-methyl-4-(1-thiophen-3-ylethylamino)benzenesulfonamide
CID 80645874
2-amino-N-methyl-4-(2-methylpentan-3-ylamino)benzenesulfonamide
CID 80645869
4-chloro-2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 114182279
5-amino-2-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387556
2-chloro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyridin-4-amine
CID 106544949
2-amino-N-methyl-4-(4-methylhexan-2-ylamino)benzenesulfonamide
CID 80645953
2-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzene-1,2-diamine
CID 106387648
2-amino-4-(hexan-3-ylamino)-N-methylbenzenesulfonamide
CID 80645596

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide (CID 106387704) is 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide is CNS(=O)(=O)c1ccc(NC(C)c2ncc(C)o2)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide?
The InChIKey is WBFVWEIQOUASBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c1-8-7-16-13(20-8)9(2)17-10-4-5-12(11(14)6-10)21(18,19)15-3/h4-7,9,15,17H,14H2,1-3H3.
What are the key properties of 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide?
2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide has a molecular weight of 310.38 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]benzenesulfonamide is sourced from PubChem (CID 106387704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).