2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine

C2H10N2O2S — CID 142366006

IUPAC2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESNCCS(N)(O)O
InChIInChI=1S/C2H10N2O2S/c3-1-2-7(4,5)6/h5-6H,1-4H2
InChIKeyLQCMBJGTCGYHIV-UHFFFAOYSA-N
MW126.18 g/mol
LogP-0.43
Rot. Bonds2

About 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine

2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine (PubChem CID 142366006) has the molecular formula C2H10N2O2S and a molecular weight of 126.18 g/mol. Its IUPAC name is 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine
PubChem CID142366006
Molecular FormulaC2H10N2O2S
Molecular Weight126.18 g/mol
Exact Mass126.05
IUPAC Name2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine
SMILESNCCS(N)(O)O
InChIInChI=1S/C2H10N2O2S/c3-1-2-7(4,5)6/h5-6H,1-4H2
InChIKeyLQCMBJGTCGYHIV-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trihydroxy-lambda4-sulfanyl)ethanamine
CID 23530470
2-Hydroxysulfanylethanamine
CID 55289599
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
3-Hydroxysulfanylpropan-1-amine
CID 124083928
2-Hydroxysulfanylethanamine;hydrochloride
CID 141473798
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
Ethane;2-(trihydroxy-lambda4-sulfanyl)ethanamine
CID 142218623
2-[amino(dihydroxy)-lambda4-sulfanyl]-N-methylethanamine
CID 142366014
3-(Trihydroxy-lambda4-sulfanyl)propan-1-amine
CID 143992139
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine;ethane
CID 144965893
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine
CID 144965894
2-[Dimethylamino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 145135290

Frequently Asked Questions

What is the IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine?
The IUPAC name of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine (CID 142366006) is 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine.
What is the SMILES notation for 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine?
The canonical SMILES for 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine is NCCS(N)(O)O.
What is the InChIKey of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine?
The InChIKey is LQCMBJGTCGYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N2O2S/c3-1-2-7(4,5)6/h5-6H,1-4H2.
What are the key properties of 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine?
2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine has a molecular weight of 126.18 g/mol, XLogP of -0.43, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino(dihydroxy)-λ4-sulfanyl]ethanamine is sourced from PubChem (CID 142366006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).