2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide

C6H7BrN2O2S3 — CID 61457900

IUPAC2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
SMILESNC(=S)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H7BrN2O2S3/c7-4-1-2-13-6(4)14(10,11)9-3-5(8)12/h1-2,9H,3H2,(H2,8,12)
InChIKeyGVFKEGIKFYLMHW-UHFFFAOYSA-N
MW315.24 g/mol
LogP1.08
Rot. Bonds4

About 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide

2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide (PubChem CID 61457900) has the molecular formula C6H7BrN2O2S3 and a molecular weight of 315.24 g/mol. Its IUPAC name is 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide.

Molecular Properties

Compound Name2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
PubChem CID61457900
Molecular FormulaC6H7BrN2O2S3
Molecular Weight315.24 g/mol
Exact Mass313.89
IUPAC Name2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide
SMILESNC(=S)CNS(=O)(=O)c1sccc1Br
InChIInChI=1S/C6H7BrN2O2S3/c7-4-1-2-13-6(4)14(10,11)9-3-5(8)12/h1-2,9H,3H2,(H2,8,12)
InChIKeyGVFKEGIKFYLMHW-UHFFFAOYSA-N
XLogP1.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-ethylthiophene-2-sulfonamide
CID 61072476
3-bromo-N-(cyanomethyl)thiophene-2-sulfonamide
CID 61458188
N-(2-amino-2-ethylbutyl)-3-bromothiophene-2-sulfonamide
CID 84591422
4-[[(3-bromothiophen-2-yl)sulfonylamino]methyl]-3-fluorobenzenecarbothioamide
CID 63359168
3-bromo-N-[2-(2-hydroxyethoxy)ethyl]thiophene-2-sulfonamide
CID 61456223
2-[(3-bromothiophen-2-yl)sulfonylamino]-N-(2-methoxyethyl)acetamide
CID 113225778
3-bromo-N-[2-(3-hydroxypropylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 103834752
N-[2-(4-aminophenyl)-2-hydroxyethyl]-3-bromothiophene-2-sulfonamide
CID 61457857
5-amino-2-[(3-bromothiophen-2-yl)sulfonylamino]-5-oxopentanoic acid
CID 61063305
2-[(3-bromothiophen-2-yl)sulfonylamino]cyclopentane-1-carbothioamide
CID 62957127
N-(2-amino-2-cyclopropylethyl)-3-bromothiophene-2-sulfonamide
CID 115301357
3-bromo-N-(pyridin-4-ylmethyl)thiophene-2-sulfonamide
CID 61073398

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide?
The IUPAC name of 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide (CID 61457900) is 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide.
What is the SMILES notation for 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide?
The canonical SMILES for 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide is NC(=S)CNS(=O)(=O)c1sccc1Br.
What is the InChIKey of 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide?
The InChIKey is GVFKEGIKFYLMHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2S3/c7-4-1-2-13-6(4)14(10,11)9-3-5(8)12/h1-2,9H,3H2,(H2,8,12).
What are the key properties of 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide?
2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide has a molecular weight of 315.24 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromothiophen-2-yl)sulfonylamino]ethanethioamide is sourced from PubChem (CID 61457900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).