3-propylsulfanylpropan-1-amine

C6H15NS — CID 19873160

IUPAC3-propylsulfanylpropan-1-amine
SMILESCCCSCCCN
InChIInChI=1S/C6H15NS/c1-2-5-8-6-3-4-7/h2-7H2,1H3
InChIKeyQJQHYOZSXUTNLN-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.48
Rot. Bonds5

About 3-propylsulfanylpropan-1-amine

3-propylsulfanylpropan-1-amine (PubChem CID 19873160) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 3-propylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-propylsulfanylpropan-1-amine
PubChem CID19873160
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name3-propylsulfanylpropan-1-amine
SMILESCCCSCCCN
InChIInChI=1S/C6H15NS/c1-2-5-8-6-3-4-7/h2-7H2,1H3
InChIKeyQJQHYOZSXUTNLN-UHFFFAOYSA-N
XLogP1.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfanylpropan-1-amine?
The IUPAC name of 3-propylsulfanylpropan-1-amine (CID 19873160) is 3-propylsulfanylpropan-1-amine.
What is the SMILES notation for 3-propylsulfanylpropan-1-amine?
The canonical SMILES for 3-propylsulfanylpropan-1-amine is CCCSCCCN.
What is the InChIKey of 3-propylsulfanylpropan-1-amine?
The InChIKey is QJQHYOZSXUTNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-2-5-8-6-3-4-7/h2-7H2,1H3.
What are the key properties of 3-propylsulfanylpropan-1-amine?
3-propylsulfanylpropan-1-amine has a molecular weight of 133.26 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfanylpropan-1-amine is sourced from PubChem (CID 19873160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).