5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide

C9H10BrN3O3S3 — CID 106383980

IUPAC5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)s1
InChIInChI=1S/C9H10BrN3O3S3/c10-8-7(1-6(2-11)18-8)19(15,16)12-3-5-4-17-9(14)13-5/h1,4,12H,2-3,11H2,(H,13,14)
InChIKeyPPULZNSYLQUTQA-UHFFFAOYSA-N
MW384.30 g/mol
LogP1.20
Rot. Bonds5

About 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide (PubChem CID 106383980) has the molecular formula C9H10BrN3O3S3 and a molecular weight of 384.30 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
PubChem CID106383980
Molecular FormulaC9H10BrN3O3S3
Molecular Weight384.30 g/mol
Exact Mass382.91
IUPAC Name5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)s1
InChIInChI=1S/C9H10BrN3O3S3/c10-8-7(1-6(2-11)18-8)19(15,16)12-3-5-4-17-9(14)13-5/h1,4,12H,2-3,11H2,(H,13,14)
InChIKeyPPULZNSYLQUTQA-UHFFFAOYSA-N
XLogP1.20
TPSA105.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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
3-(aminomethyl)-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383910
5-(aminomethyl)-2-ethyl-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383991
5-bromo-4-[(2-oxo-3H-1,3-thiazol-4-yl)methylsulfamoyl]furan-2-carboxylic acid
CID 106379599
3-amino-5-chloro-2-fluoro-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106379297
5-(aminomethyl)-2-bromo-N-(1,2,4-oxadiazol-3-ylmethyl)thiophene-3-sulfonamide
CID 106410879
5-(aminomethyl)-2-bromo-N-[(5-methyl-1H-pyrazol-4-yl)methyl]thiophene-3-sulfonamide
CID 106015627
2-bromo-4-(methylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]benzenesulfonamide
CID 106383993
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]thiophene-3-sulfonamide
CID 114138920
5-(aminomethyl)-2-bromo-N-(2-ethoxyethyl)thiophene-3-sulfonamide
CID 106020201
5-(aminomethyl)-2-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]thiophene-3-sulfonamide
CID 106378250

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide (CID 106383980) is 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NCc2csc(=O)[nH]2)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
The InChIKey is PPULZNSYLQUTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN3O3S3/c10-8-7(1-6(2-11)18-8)19(15,16)12-3-5-4-17-9(14)13-5/h1,4,12H,2-3,11H2,(H,13,14).
What are the key properties of 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide has a molecular weight of 384.30 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 106383980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).