3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine

C7H15NS — CID 140899054

IUPAC3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C/NCCCSC
InChIInChI=1S/C7H15NS/c1-3-5-8-6-4-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+
InChIKeyGGLZPPAXHFKBJV-HWKANZROSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds5

About 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine

3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine (PubChem CID 140899054) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine
PubChem CID140899054
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC Name3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine
SMILESC/C=C/NCCCSC
InChIInChI=1S/C7H15NS/c1-3-5-8-6-4-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+
InChIKeyGGLZPPAXHFKBJV-HWKANZROSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.86
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-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine?
The IUPAC name of 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine (CID 140899054) is 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine is C/C=C/NCCCSC.
What is the InChIKey of 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine?
The InChIKey is GGLZPPAXHFKBJV-HWKANZROSA-N. The full InChI is InChI=1S/C7H15NS/c1-3-5-8-6-4-7-9-2/h3,5,8H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine?
3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-N-[(E)-prop-1-enyl]propan-1-amine is sourced from PubChem (CID 140899054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).