5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide

C10H15BrN2O2S3 — CID 106081605

IUPAC5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCSC2)c(Br)s1
InChIInChI=1S/C10H15BrN2O2S3/c11-10-9(4-8(5-12)17-10)18(14,15)13-7-2-1-3-16-6-7/h4,7,13H,1-3,5-6,12H2
InChIKeyAZBRBGVWZUTIRT-UHFFFAOYSA-N
MW371.35 g/mol
LogP2.14
Rot. Bonds4

About 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide

5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide (PubChem CID 106081605) has the molecular formula C10H15BrN2O2S3 and a molecular weight of 371.35 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
PubChem CID106081605
Molecular FormulaC10H15BrN2O2S3
Molecular Weight371.35 g/mol
Exact Mass369.95
IUPAC Name5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide
SMILESNCc1cc(S(=O)(=O)NC2CCCSC2)c(Br)s1
InChIInChI=1S/C10H15BrN2O2S3/c11-10-9(4-8(5-12)17-10)18(14,15)13-7-2-1-3-16-6-7/h4,7,13H,1-3,5-6,12H2
InChIKeyAZBRBGVWZUTIRT-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.35
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-[(cyclopropylamino)methyl]-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081522
2-bromo-5-(propylaminomethyl)-N-(thian-3-yl)thiophene-3-sulfonamide
CID 106081454
3-(aminomethyl)-5-chloro-2-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106081545
2,4-dibromo-N-(thian-3-yl)benzenesulfonamide
CID 113250007
5-(aminomethyl)-2-bromo-N-(1-cyclobutylethyl)thiophene-3-sulfonamide
CID 106084947
2,5-dibromo-4-methyl-N-(thian-3-yl)benzenesulfonamide
CID 115698659
2-amino-5-bromo-4-fluoro-N-(thian-3-yl)benzenesulfonamide
CID 106492099
5-(aminomethyl)-2-bromo-N-(1-cyclopropylethyl)thiophene-3-sulfonamide
CID 114134381
2-bromo-5-(hydroxymethyl)-N-(oxan-3-yl)thiophene-3-sulfonamide
CID 114135006
5-(aminomethyl)-2,4-dimethyl-N-(thiolan-3-yl)benzenesulfonamide
CID 106086279
2-amino-4-bromo-N-(thiolan-3-yl)benzenesulfonamide
CID 103062283
2-bromo-5-(ethylaminomethyl)-N-(thian-3-yl)benzenesulfonamide
CID 106081365

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide (CID 106081605) is 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide is NCc1cc(S(=O)(=O)NC2CCCSC2)c(Br)s1.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide?
The InChIKey is AZBRBGVWZUTIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S3/c11-10-9(4-8(5-12)17-10)18(14,15)13-7-2-1-3-16-6-7/h4,7,13H,1-3,5-6,12H2.
What are the key properties of 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide has a molecular weight of 371.35 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-(thian-3-yl)thiophene-3-sulfonamide is sourced from PubChem (CID 106081605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).