1-prop-1-en-2-ylsulfanylpropan-1-amine

C6H13NS — CID 167051987

IUPAC1-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SC(N)CC
InChIInChI=1S/C6H13NS/c1-4-6(7)8-5(2)3/h6H,2,4,7H2,1,3H3
InChIKeyBUOPNRHZLBNILI-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.95
Rot. Bonds3

About 1-prop-1-en-2-ylsulfanylpropan-1-amine

1-prop-1-en-2-ylsulfanylpropan-1-amine (PubChem CID 167051987) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 1-prop-1-en-2-ylsulfanylpropan-1-amine.

Molecular Properties

Compound Name1-prop-1-en-2-ylsulfanylpropan-1-amine
PubChem CID167051987
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name1-prop-1-en-2-ylsulfanylpropan-1-amine
SMILESC=C(C)SC(N)CC
InChIInChI=1S/C6H13NS/c1-4-6(7)8-5(2)3/h6H,2,4,7H2,1,3H3
InChIKeyBUOPNRHZLBNILI-UHFFFAOYSA-N
XLogP1.95
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-prop-1-en-2-ylsulfanylpropan-1-amine?
The IUPAC name of 1-prop-1-en-2-ylsulfanylpropan-1-amine (CID 167051987) is 1-prop-1-en-2-ylsulfanylpropan-1-amine.
What is the SMILES notation for 1-prop-1-en-2-ylsulfanylpropan-1-amine?
The canonical SMILES for 1-prop-1-en-2-ylsulfanylpropan-1-amine is C=C(C)SC(N)CC.
What is the InChIKey of 1-prop-1-en-2-ylsulfanylpropan-1-amine?
The InChIKey is BUOPNRHZLBNILI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-4-6(7)8-5(2)3/h6H,2,4,7H2,1,3H3.
What are the key properties of 1-prop-1-en-2-ylsulfanylpropan-1-amine?
1-prop-1-en-2-ylsulfanylpropan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-1-en-2-ylsulfanylpropan-1-amine is sourced from PubChem (CID 167051987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).