2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine

C4H13NO2S — CID 143254270

IUPAC2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine
SMILESCNCCS(C)(O)O
InChIInChI=1S/C4H13NO2S/c1-5-3-4-8(2,6)7/h5-7H,3-4H2,1-2H3
InChIKeyRVSQWNYHRZSRSG-UHFFFAOYSA-N
MW139.22 g/mol
LogP0.59
Rot. Bonds3

About 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine

2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine (PubChem CID 143254270) has the molecular formula C4H13NO2S and a molecular weight of 139.22 g/mol. Its IUPAC name is 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine
PubChem CID143254270
Molecular FormulaC4H13NO2S
Molecular Weight139.22 g/mol
Exact Mass139.07
IUPAC Name2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine
SMILESCNCCS(C)(O)O
InChIInChI=1S/C4H13NO2S/c1-5-3-4-8(2,6)7/h5-7H,3-4H2,1-2H3
InChIKeyRVSQWNYHRZSRSG-UHFFFAOYSA-N
XLogP0.59
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.22
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine?
The IUPAC name of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine (CID 143254270) is 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine.
What is the SMILES notation for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine?
The canonical SMILES for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine is CNCCS(C)(O)O.
What is the InChIKey of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine?
The InChIKey is RVSQWNYHRZSRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H13NO2S/c1-5-3-4-8(2,6)7/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine?
2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine has a molecular weight of 139.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methyl)-λ4-sulfanyl]-N-methylethanamine is sourced from PubChem (CID 143254270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).