3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine

C3H12N2O2S — CID 153405110

IUPAC3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine
SMILESNCCCS(N)(O)O
InChIInChI=1S/C3H12N2O2S/c4-2-1-3-8(5,6)7/h6-7H,1-5H2
InChIKeyJUZQPPDEUZHVJN-UHFFFAOYSA-N
MW140.21 g/mol
LogP-0.04
Rot. Bonds3

About 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine

3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine (PubChem CID 153405110) has the molecular formula C3H12N2O2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine.

Molecular Properties

Compound Name3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine
PubChem CID153405110
Molecular FormulaC3H12N2O2S
Molecular Weight140.21 g/mol
Exact Mass140.06
IUPAC Name3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine
SMILESNCCCS(N)(O)O
InChIInChI=1S/C3H12N2O2S/c4-2-1-3-8(5,6)7/h6-7H,1-5H2
InChIKeyJUZQPPDEUZHVJN-UHFFFAOYSA-N
XLogP-0.04
TPSA92.50 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 ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine?
The IUPAC name of 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine (CID 153405110) is 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine.
What is the SMILES notation for 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine?
The canonical SMILES for 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine is NCCCS(N)(O)O.
What is the InChIKey of 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine?
The InChIKey is JUZQPPDEUZHVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H12N2O2S/c4-2-1-3-8(5,6)7/h6-7H,1-5H2.
What are the key properties of 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine?
3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine has a molecular weight of 140.21 g/mol, XLogP of -0.04, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[amino(dihydroxy)-λ4-sulfanyl]propan-1-amine is sourced from PubChem (CID 153405110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).