2-(methanesulfinamido)acetic acid

C3H7NO3S — CID 83694265

IUPAC2-(methanesulfinamido)acetic acid
SMILESCS(=O)NCC(=O)O
InChIInChI=1S/C3H7NO3S/c1-8(7)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFVKJVMUFADEYTO-UHFFFAOYSA-N
MW137.16 g/mol
LogP-1.05
Rot. Bonds3

About 2-(methanesulfinamido)acetic acid

2-(methanesulfinamido)acetic acid (PubChem CID 83694265) has the molecular formula C3H7NO3S and a molecular weight of 137.16 g/mol. Its IUPAC name is 2-(methanesulfinamido)acetic acid.

Molecular Properties

Compound Name2-(methanesulfinamido)acetic acid
PubChem CID83694265
Molecular FormulaC3H7NO3S
Molecular Weight137.16 g/mol
Exact Mass137.01
IUPAC Name2-(methanesulfinamido)acetic acid
SMILESCS(=O)NCC(=O)O
InChIInChI=1S/C3H7NO3S/c1-8(7)4-2-3(5)6/h4H,2H2,1H3,(H,5,6)
InChIKeyFVKJVMUFADEYTO-UHFFFAOYSA-N
XLogP-1.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methanesulfinamido)acetic acid?
The IUPAC name of 2-(methanesulfinamido)acetic acid (CID 83694265) is 2-(methanesulfinamido)acetic acid.
What is the SMILES notation for 2-(methanesulfinamido)acetic acid?
The canonical SMILES for 2-(methanesulfinamido)acetic acid is CS(=O)NCC(=O)O.
What is the InChIKey of 2-(methanesulfinamido)acetic acid?
The InChIKey is FVKJVMUFADEYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO3S/c1-8(7)4-2-3(5)6/h4H,2H2,1H3,(H,5,6).
What are the key properties of 2-(methanesulfinamido)acetic acid?
2-(methanesulfinamido)acetic acid has a molecular weight of 137.16 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methanesulfinamido)acetic acid is sourced from PubChem (CID 83694265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).