N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine

C4H13NO2S — CID 20693480

IUPACN-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine
SMILESCN(C)S(C)(C)(=O)O
InChIInChI=1S/C4H13NO2S/c1-5(2)8(3,4,6)7/h1-4H3,(H,6,7)
InChIKeyRDXOOOQKDOWPEY-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.02
Rot. Bonds1

About N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine

N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine (PubChem CID 20693480) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine.

Molecular Properties

Compound NameN-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine
PubChem CID20693480
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC NameN-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine
SMILESCN(C)S(C)(C)(=O)O
InChIInChI=1S/C4H13NO2S/c1-5(2)8(3,4,6)7/h1-4H3,(H,6,7)
InChIKeyRDXOOOQKDOWPEY-UHFFFAOYSA-N
XLogP0.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine?
The IUPAC name of N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine (CID 20693480) is N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine.
What is the SMILES notation for N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine?
The canonical SMILES for N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine is CN(C)S(C)(C)(=O)O.
What is the InChIKey of N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine?
The InChIKey is RDXOOOQKDOWPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-5(2)8(3,4,6)7/h1-4H3,(H,6,7).
What are the key properties of N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine?
N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine has a molecular weight of 139.22 g/mol, XLogP of 0.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxy-dimethyl-oxo-λ6-sulfanyl)-N-methylmethanamine is sourced from PubChem (CID 20693480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).