N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine

C4H14N2O2S — CID 142334211

IUPACN'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)S(C)(O)O
InChIInChI=1S/C4H14N2O2S/c1-6(4-3-5)9(2,7)8/h7-8H,3-5H2,1-2H3
InChIKeyWIPDFDMVGMMSFP-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.17
Rot. Bonds3

About N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine

N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine (PubChem CID 142334211) has the molecular formula C4H14N2O2S and a molecular weight of 154.24 g/mol. Its IUPAC name is N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine
PubChem CID142334211
Molecular FormulaC4H14N2O2S
Molecular Weight154.24 g/mol
Exact Mass154.08
IUPAC NameN'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)S(C)(O)O
InChIInChI=1S/C4H14N2O2S/c1-6(4-3-5)9(2,7)8/h7-8H,3-5H2,1-2H3
InChIKeyWIPDFDMVGMMSFP-UHFFFAOYSA-N
XLogP0.17
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine (CID 142334211) is N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine is CN(CCN)S(C)(O)O.
What is the InChIKey of N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine?
The InChIKey is WIPDFDMVGMMSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2O2S/c1-6(4-3-5)9(2,7)8/h7-8H,3-5H2,1-2H3.
What are the key properties of N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine?
N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine has a molecular weight of 154.24 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dihydroxy(methyl)-λ4-sulfanyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 142334211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).