4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine

C4H14N2O2S — CID 142529596

IUPAC4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine
SMILESCC(N)CCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-4(5)2-3-9(6,7)8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyKZMHXFRLXYMCDO-UHFFFAOYSA-N
MW154.24 g/mol
LogP0.35
Rot. Bonds3

About 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine

4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine (PubChem CID 142529596) has the molecular formula C4H14N2O2S and a molecular weight of 154.24 g/mol. Its IUPAC name is 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine.

Molecular Properties

Compound Name4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine
PubChem CID142529596
Molecular FormulaC4H14N2O2S
Molecular Weight154.24 g/mol
Exact Mass154.08
IUPAC Name4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine
SMILESCC(N)CCS(N)(O)O
InChIInChI=1S/C4H14N2O2S/c1-4(5)2-3-9(6,7)8/h4,7-8H,2-3,5-6H2,1H3
InChIKeyKZMHXFRLXYMCDO-UHFFFAOYSA-N
XLogP0.35
TPSA92.50 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.24
LogP ≤ 50.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[dihydroxy(2,2,2-trifluoroethyl)-lambda4-sulfanyl]propan-2-amine
CID 170709283
N-[fluoromethyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 177996881
3-Aminobutane-1-sulfinic acid
CID 20285875
N-[dihydroxy(methyl)-lambda4-sulfanyl]propan-2-amine
CID 123548608
2-Aminobutane-1-sulfinic acid
CID 123705794
N-[ethyl(dihydroxy)-lambda4-sulfanyl]ethanamine
CID 142211074
N-[dihydroxy(propan-2-yl)-lambda4-sulfanyl]propan-2-amine
CID 144580599
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
N-[tert-butyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 145161152
N-[cyclopropyl(dihydroxy)-lambda4-sulfanyl]propan-2-amine
CID 148174862

Frequently Asked Questions

What is the IUPAC name of 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine?
The IUPAC name of 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine (CID 142529596) is 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine.
What is the SMILES notation for 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine?
The canonical SMILES for 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine is CC(N)CCS(N)(O)O.
What is the InChIKey of 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine?
The InChIKey is KZMHXFRLXYMCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H14N2O2S/c1-4(5)2-3-9(6,7)8/h4,7-8H,2-3,5-6H2,1H3.
What are the key properties of 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine?
4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine has a molecular weight of 154.24 g/mol, XLogP of 0.35, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino(dihydroxy)-λ4-sulfanyl]butan-2-amine is sourced from PubChem (CID 142529596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).