(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane

C2H9NO2S — CID 20659465

IUPAC(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane
SMILESCS(C)(N)(=O)O
InChIInChI=1S/C2H9NO2S/c1-6(2,3,4)5/h1-2H3,(H3,3,4,5)
InChIKeyKQWAKBLDMIANLV-UHFFFAOYSA-N
MW111.17 g/mol
LogP-0.59
Rot. Bonds

About (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane

(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane (PubChem CID 20659465) has the molecular formula C2H9NO2S and a molecular weight of 111.17 g/mol. Its IUPAC name is (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane.

Molecular Properties

Compound Name(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane
PubChem CID20659465
Molecular FormulaC2H9NO2S
Molecular Weight111.17 g/mol
Exact Mass111.04
IUPAC Name(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane
SMILESCS(C)(N)(=O)O
InChIInChI=1S/C2H9NO2S/c1-6(2,3,4)5/h1-2H3,(H3,3,4,5)
InChIKeyKQWAKBLDMIANLV-UHFFFAOYSA-N
XLogP-0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.17
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

[(Amino-hydroxy-oxo-lambda6-sulfanylidene)-methyl-lambda4-sulfanyl]methane
CID 88287095
[Dimethyl-(sulfinoamino)-lambda4-sulfanyl]methane
CID 89051096
(Amino-dimethyl-oxo-lambda6-sulfanyl) hydrogen sulfate
CID 89407644
Imino-dimethyl-oxo-lambda6-sulfane;methanesulfonic acid
CID 162309753
N-[hydroxy(dimethyl)-lambda4-sulfanyl]methanesulfonamide
CID 20716950

Frequently Asked Questions

What is the IUPAC name of (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane?
The IUPAC name of (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane (CID 20659465) is (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane.
What is the SMILES notation for (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane?
The canonical SMILES for (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane is CS(C)(N)(=O)O.
What is the InChIKey of (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane?
The InChIKey is KQWAKBLDMIANLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H9NO2S/c1-6(2,3,4)5/h1-2H3,(H3,3,4,5).
What are the key properties of (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane?
(amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane has a molecular weight of 111.17 g/mol, XLogP of -0.59, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (amino-hydroxy-methyl-oxo-λ6-sulfanyl)methane is sourced from PubChem (CID 20659465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).