2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine

C6H11N3O2S2 — CID 130345166

IUPAC2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine
SMILESNCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C6H11N3O2S2/c7-1-2-13(10,11)6-4-9-5(3-8)12-6/h4H,1-3,7-8H2
InChIKeyRXJJDYPUGDJGBL-UHFFFAOYSA-N
MW221.31 g/mol
LogP-0.67
Rot. Bonds4

About 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine

2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine (PubChem CID 130345166) has the molecular formula C6H11N3O2S2 and a molecular weight of 221.31 g/mol. Its IUPAC name is 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine.

Molecular Properties

Compound Name2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine
PubChem CID130345166
Molecular FormulaC6H11N3O2S2
Molecular Weight221.31 g/mol
Exact Mass221.03
IUPAC Name2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine
SMILESNCCS(=O)(=O)c1cnc(CN)s1
InChIInChI=1S/C6H11N3O2S2/c7-1-2-13(10,11)6-4-9-5(3-8)12-6/h4H,1-3,7-8H2
InChIKeyRXJJDYPUGDJGBL-UHFFFAOYSA-N
XLogP-0.67
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-Cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 130345225
(5-Propylsulfonyl-1,3-thiazol-2-yl)methanamine
CID 155532323
2-[[2-(Aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine;hydrochloride
CID 130345165
(5-Cyclohexylsulfonyl-1,3-thiazol-2-yl)methanamine;hydrochloride
CID 130345224
2-Methylthiazole-5-sulfonamide
CID 13517396
2-Methyl-1,3-thiazole-5-sulfonyl chloride
CID 53441758
5-Ethylsulfanyl-1,3-thiazole-2-sulfonamide
CID 9837429
5-Ethylsulfinyl-1,3-thiazole-2-sulfonamide
CID 15337826
2-Methylaminomethyl-1,3-thiazole-5-sulphonamide
CID 21957438
2-Ethylsulfanyl-1,3-thiazole-5-sulfonamide
CID 22406943
N-(2-sulfanylideneethyl)-1,3-thiazole-5-sulfonamide
CID 22406967
Trimethyl-[2-(1,3-thiazol-2-ylsulfonylamino)ethyl]azanium
CID 22406971

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine?
The IUPAC name of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine (CID 130345166) is 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine.
What is the SMILES notation for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine?
The canonical SMILES for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine is NCCS(=O)(=O)c1cnc(CN)s1.
What is the InChIKey of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine?
The InChIKey is RXJJDYPUGDJGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2S2/c7-1-2-13(10,11)6-4-9-5(3-8)12-6/h4H,1-3,7-8H2.
What are the key properties of 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine?
2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine has a molecular weight of 221.31 g/mol, XLogP of -0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(aminomethyl)-1,3-thiazol-5-yl]sulfonyl]ethanamine is sourced from PubChem (CID 130345166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).