2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane

C5H18N2O2S — CID 144965893

IUPAC2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CNS(O)(O)CCN
InChIInChI=1S/C3H12N2O2S.C2H6/c1-5-8(6,7)3-2-4;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyYJBCXZLGBQKWKD-UHFFFAOYSA-N
MW170.28 g/mol
LogP0.86
Rot. Bonds3

About 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane

2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane (PubChem CID 144965893) has the molecular formula C5H18N2O2S and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane.

Molecular Properties

Compound Name2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane
PubChem CID144965893
Molecular FormulaC5H18N2O2S
Molecular Weight170.28 g/mol
Exact Mass170.11
IUPAC Name2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane
SMILESCC.CNS(O)(O)CCN
InChIInChI=1S/C3H12N2O2S.C2H6/c1-5-8(6,7)3-2-4;1-2/h5-7H,2-4H2,1H3;1-2H3
InChIKeyYJBCXZLGBQKWKD-UHFFFAOYSA-N
XLogP0.86
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

5-[Amino(dihydroxy)-lambda4-sulfanyl]pentan-1-amine
CID 140778896
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[Amino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142366006
4-[Amino(dihydroxy)-lambda4-sulfanyl]butan-2-amine
CID 142529596
2-[amino(dihydroxy)-lambda4-sulfanyl]-N-ethylethanamine
CID 142529660
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;ethane;molecular hydrogen
CID 144268144
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]propan-2-amine
CID 144580599
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine
CID 144965894
2-[dihydroxy(methylamino)-lambda4-sulfanyl]-N,N-dimethylethanamine;ethane
CID 144965918
ethane;N-[ethyl(dihydroxy)-lambda4-sulfanyl]methanamine
CID 144965954

Frequently Asked Questions

What is the IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane?
The IUPAC name of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane (CID 144965893) is 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane.
What is the SMILES notation for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane?
The canonical SMILES for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane is CC.CNS(O)(O)CCN.
What is the InChIKey of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane?
The InChIKey is YJBCXZLGBQKWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2O2S.C2H6/c1-5-8(6,7)3-2-4;1-2/h5-7H,2-4H2,1H3;1-2H3.
What are the key properties of 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane?
2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane has a molecular weight of 170.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dihydroxy(methylamino)-λ4-sulfanyl]ethanamine;ethane is sourced from PubChem (CID 144965893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).