5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

C13H17N3O3S2 — CID 106383991

IUPAC5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H17N3O3S2/c1-2-10-4-3-9(6-14)5-12(10)21(18,19)15-7-11-8-20-13(17)16-11/h3-5,8,15H,2,6-7,14H2,1H3,(H,16,17)
InChIKeyRRBJJVCNETZEPP-UHFFFAOYSA-N
MW327.43 g/mol
LogP0.94
Rot. Bonds6

About 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide

5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (PubChem CID 106383991) has the molecular formula C13H17N3O3S2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
PubChem CID106383991
Molecular FormulaC13H17N3O3S2
Molecular Weight327.43 g/mol
Exact Mass327.07
IUPAC Name5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
SMILESCCc1ccc(CN)cc1S(=O)(=O)NCc1csc(=O)[nH]1
InChIInChI=1S/C13H17N3O3S2/c1-2-10-4-3-9(6-14)5-12(10)21(18,19)15-7-11-8-20-13(17)16-11/h3-5,8,15H,2,6-7,14H2,1H3,(H,16,17)
InChIKeyRRBJJVCNETZEPP-UHFFFAOYSA-N
XLogP0.94
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383869
3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
2-bromo-4-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383993
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106383980
5-(aminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-2-sulfonamide
CID 106382394
2,4-dibromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 113341895
5-(aminomethyl)-2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)benzenesulfonamide
CID 106080861
2-(ethylamino)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]pyridine-3-sulfonamide
CID 106383311
5-(aminomethyl)-2-ethyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 106016248
4-(2-hydroxyethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383819
5-(aminomethyl)-2-ethyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106031396
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide (CID 106383991) is 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is CCc1ccc(CN)cc1S(=O)(=O)NCc1csc(=O)[nH]1.
What is the InChIKey of 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is RRBJJVCNETZEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3S2/c1-2-10-4-3-9(6-14)5-12(10)21(18,19)15-7-11-8-20-13(17)16-11/h3-5,8,15H,2,6-7,14H2,1H3,(H,16,17).
What are the key properties of 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 327.43 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106383991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).