3-prop-1-enylsulfanylpropan-1-amine

C6H13NS — CID 57101189

IUPAC3-prop-1-enylsulfanylpropan-1-amine
SMILESCC=CSCCCN
InChIInChI=1S/C6H13NS/c1-2-5-8-6-3-4-7/h2,5H,3-4,6-7H2,1H3
InChIKeyLXRDWHBTJKYEKR-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.60
Rot. Bonds4

About 3-prop-1-enylsulfanylpropan-1-amine

3-prop-1-enylsulfanylpropan-1-amine (PubChem CID 57101189) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-prop-1-enylsulfanylpropan-1-amine.

Molecular Properties

Compound Name3-prop-1-enylsulfanylpropan-1-amine
PubChem CID57101189
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-prop-1-enylsulfanylpropan-1-amine
SMILESCC=CSCCCN
InChIInChI=1S/C6H13NS/c1-2-5-8-6-3-4-7/h2,5H,3-4,6-7H2,1H3
InChIKeyLXRDWHBTJKYEKR-UHFFFAOYSA-N
XLogP1.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.60
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-prop-1-enylsulfanylpropan-1-amine?
The IUPAC name of 3-prop-1-enylsulfanylpropan-1-amine (CID 57101189) is 3-prop-1-enylsulfanylpropan-1-amine.
What is the SMILES notation for 3-prop-1-enylsulfanylpropan-1-amine?
The canonical SMILES for 3-prop-1-enylsulfanylpropan-1-amine is CC=CSCCCN.
What is the InChIKey of 3-prop-1-enylsulfanylpropan-1-amine?
The InChIKey is LXRDWHBTJKYEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-2-5-8-6-3-4-7/h2,5H,3-4,6-7H2,1H3.
What are the key properties of 3-prop-1-enylsulfanylpropan-1-amine?
3-prop-1-enylsulfanylpropan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-enylsulfanylpropan-1-amine is sourced from PubChem (CID 57101189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).