2-(2H-triazol-4-ylmethylsulfonyl)ethanamine

C5H10N4O2S — CID 172833525

IUPAC2-(2H-triazol-4-ylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)Cc1cn[nH]n1
InChIInChI=1S/C5H10N4O2S/c6-1-2-12(10,11)4-5-3-7-9-8-5/h3H,1-2,4,6H2,(H,7,8,9)
InChIKeyVVKIBXYIDWKIFE-UHFFFAOYSA-N
MW190.23 g/mol
LogP-1.32
Rot. Bonds4

About 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine

2-(2H-triazol-4-ylmethylsulfonyl)ethanamine (PubChem CID 172833525) has the molecular formula C5H10N4O2S and a molecular weight of 190.23 g/mol. Its IUPAC name is 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2H-triazol-4-ylmethylsulfonyl)ethanamine
PubChem CID172833525
Molecular FormulaC5H10N4O2S
Molecular Weight190.23 g/mol
Exact Mass190.05
IUPAC Name2-(2H-triazol-4-ylmethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)Cc1cn[nH]n1
InChIInChI=1S/C5H10N4O2S/c6-1-2-12(10,11)4-5-3-7-9-8-5/h3H,1-2,4,6H2,(H,7,8,9)
InChIKeyVVKIBXYIDWKIFE-UHFFFAOYSA-N
XLogP-1.32
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyanosulfonylethyltriazole
CID 57156873
Methyl (3-aminotriazol-4-yl)methanesulfonate
CID 91053528
2H-triazol-4-ylmethanesulfonic acid
CID 57066658
4-(ethylsulfonylmethyl)-2H-triazole
CID 59154798
4-(ethylsulfinylmethyl)-2H-triazole
CID 59155125
2-(2H-triazol-4-ylmethylsulfanyl)ethanamine
CID 70578925
2-methylsulfonyl-N-(2H-triazol-4-ylmethyl)ethanamine
CID 141326183
2H-triazol-4-ylmethanesulfinate
CID 155297844
(1H-1,2,3-Triazol-5-yl)methanesulfonyl chloride
CID 84732413
2H-triazol-4-ylmethanesulfonamide
CID 112639831
4-(Methanesulfonylmethyl)-2H-1,2,3-triazole
CID 125453758
2-[(2-Methyltriazol-4-yl)methylsulfanyl]ethanamine
CID 130591865

Frequently Asked Questions

What is the IUPAC name of 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine?
The IUPAC name of 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine (CID 172833525) is 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine is NCCS(=O)(=O)Cc1cn[nH]n1.
What is the InChIKey of 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine?
The InChIKey is VVKIBXYIDWKIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4O2S/c6-1-2-12(10,11)4-5-3-7-9-8-5/h3H,1-2,4,6H2,(H,7,8,9).
What are the key properties of 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine?
2-(2H-triazol-4-ylmethylsulfonyl)ethanamine has a molecular weight of 190.23 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-triazol-4-ylmethylsulfonyl)ethanamine is sourced from PubChem (CID 172833525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).