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

C3H12N2O2S — CID 145333670

IUPACN'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESCS(O)(O)NCCN
InChIInChI=1S/C3H12N2O2S/c1-8(6,7)5-3-2-4/h5-7H,2-4H2,1H3
InChIKeyZXVXQQBASLGUMU-UHFFFAOYSA-N
MW140.21 g/mol
LogP-0.17
Rot. Bonds3

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

N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine (PubChem CID 145333670) has the molecular formula C3H12N2O2S and a molecular weight of 140.21 g/mol. Its IUPAC name is N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine
PubChem CID145333670
Molecular FormulaC3H12N2O2S
Molecular Weight140.21 g/mol
Exact Mass140.06
IUPAC NameN'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine
SMILESCS(O)(O)NCCN
InChIInChI=1S/C3H12N2O2S/c1-8(6,7)5-3-2-4/h5-7H,2-4H2,1H3
InChIKeyZXVXQQBASLGUMU-UHFFFAOYSA-N
XLogP-0.17
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

Ethane-1,2-diamine;methanesulfonic acid
CID 19004885
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine
CID 123866040
N-[dihydroxy(methyl)-lambda4-sulfanyl]ethanamine;ethane
CID 142156755
N'-[dihydroxy(methyl)-lambda4-sulfanyl]-N'-methylethane-1,2-diamine
CID 142334211
2-[Amino(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142366006
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine
CID 144268145
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-1-amine;molecular hydrogen
CID 144268216
N'-[dihydroxy(methyl)-lambda4-sulfanyl]propane-1,3-diamine
CID 144908954
2-[Dihydroxy(methylamino)-lambda4-sulfanyl]ethanamine
CID 144965894
N'-[hydroxy(dimethyl)-lambda4-sulfanyl]ethane-1,2-diamine
CID 153331859
[Ethylamino(dihydroxy)-lambda4-sulfanyl]azanium
CID 163999686
N'-[amino(dihydroxy)-lambda4-sulfanyl]ethane-1,2-diamine
CID 169235450

Frequently Asked Questions

What is the IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine?
The IUPAC name of N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine (CID 145333670) is N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine.
What is the SMILES notation for N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine?
The canonical SMILES for N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine is CS(O)(O)NCCN.
What is the InChIKey of N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine?
The InChIKey is ZXVXQQBASLGUMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2O2S/c1-8(6,7)5-3-2-4/h5-7H,2-4H2,1H3.
What are the key properties of N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine?
N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine has a molecular weight of 140.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[dihydroxy(methyl)-λ4-sulfanyl]ethane-1,2-diamine is sourced from PubChem (CID 145333670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).