3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine

C5H9N3OS2 — CID 58684473

IUPAC3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine
SMILESNCCCS(=O)c1nncs1
InChIInChI=1S/C5H9N3OS2/c6-2-1-3-11(9)5-8-7-4-10-5/h4H,1-3,6H2
InChIKeyJJMPWTFHSGUKHU-UHFFFAOYSA-N
MW191.28 g/mol
LogP-0.01
Rot. Bonds4

About 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine

3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine (PubChem CID 58684473) has the molecular formula C5H9N3OS2 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine
PubChem CID58684473
Molecular FormulaC5H9N3OS2
Molecular Weight191.28 g/mol
Exact Mass191.02
IUPAC Name3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine
SMILESNCCCS(=O)c1nncs1
InChIInChI=1S/C5H9N3OS2/c6-2-1-3-11(9)5-8-7-4-10-5/h4H,1-3,6H2
InChIKeyJJMPWTFHSGUKHU-UHFFFAOYSA-N
XLogP-0.01
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Butylsulfinyl-1,3,4-thiadiazole
CID 21163788
2-Butan-2-ylsulfinyl-1,3,4-thiadiazole
CID 21163818
3-(1,3,4-Thiadiazol-2-ylsulfonyl)propan-1-amine
CID 58684271
2-(1,3,4-Thiadiazol-2-ylsulfonyl)ethanamine
CID 58684887
2-(1,3,4-Thiadiazol-2-ylsulfinyl)ethanamine
CID 58684931
3-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 28374322
4-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 43530647
3-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 60915394
2-(1,3,4-Thiadiazol-2-ylsulfanyl)propan-1-amine
CID 61691172
2-(1,3,4-Thiadiazol-2-ylsulfanyl)butan-1-amine
CID 61698225
[3-(1,3,4-Thiadiazol-2-ylthio)propyl]amine dihydrochloride
CID 133655207
1-Propanamine, 3-(1,3,4-thiadiazol-2-ylthio)-, hydrochloride (1:2)
CID 177843435

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine?
The IUPAC name of 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine (CID 58684473) is 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine is NCCCS(=O)c1nncs1.
What is the InChIKey of 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine?
The InChIKey is JJMPWTFHSGUKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3OS2/c6-2-1-3-11(9)5-8-7-4-10-5/h4H,1-3,6H2.
What are the key properties of 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine?
3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine has a molecular weight of 191.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,4-thiadiazol-2-ylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).