2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

C14H19N3O2S2 — CID 103171734

IUPAC2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)s1
InChIInChI=1S/C14H19N3O2S2/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3
InChIKeyZSMSFMDFQQQPKZ-UHFFFAOYSA-N
MW325.46 g/mol
LogP2.69
Rot. Bonds4

About 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide

2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (PubChem CID 103171734) has the molecular formula C14H19N3O2S2 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
PubChem CID103171734
Molecular FormulaC14H19N3O2S2
Molecular Weight325.46 g/mol
Exact Mass325.09
IUPAC Name2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
SMILESCc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)s1
InChIInChI=1S/C14H19N3O2S2/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3
InChIKeyZSMSFMDFQQQPKZ-UHFFFAOYSA-N
XLogP2.69
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzenesulfonamide
CID 106387542
3-amino-1,5-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-sulfonamide
CID 105359223
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-imidazole-5-sulfonamide
CID 113251866
5-bromo-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 112697358
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
4-acetyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 115681422
3-amino-5-fluoro-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 116792150
5,6-dichloro-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyridine-3-sulfonamide
CID 115681420
4-fluoro-N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1H-indole-3-sulfonamide
CID 124628545
3-chloro-4-(hydroxymethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107090869
3-amino-4-methyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzamide
CID 112702022
2-amino-N-hexan-2-yl-3,6-dimethylbenzenesulfonamide
CID 103171433

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide (CID 103171734) is 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is Cc1cnc(C(C)NS(=O)(=O)c2c(C)ccc(C)c2N)s1.
What is the InChIKey of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
The InChIKey is ZSMSFMDFQQQPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S2/c1-8-5-6-9(2)13(12(8)15)21(18,19)17-11(4)14-16-7-10(3)20-14/h5-7,11,17H,15H2,1-4H3.
What are the key properties of 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide?
2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide has a molecular weight of 325.46 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 103171734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).