3-ethenylsulfanyl-N-methylpropan-1-amine

C6H13NS — CID 58325880

IUPAC3-ethenylsulfanyl-N-methylpropan-1-amine
SMILESC=CSCCCNC
InChIInChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h3,7H,1,4-6H2,2H3
InChIKeyNMFFFBABQKUGJE-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.47
Rot. Bonds5

About 3-ethenylsulfanyl-N-methylpropan-1-amine

3-ethenylsulfanyl-N-methylpropan-1-amine (PubChem CID 58325880) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is 3-ethenylsulfanyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-ethenylsulfanyl-N-methylpropan-1-amine
PubChem CID58325880
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC Name3-ethenylsulfanyl-N-methylpropan-1-amine
SMILESC=CSCCCNC
InChIInChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h3,7H,1,4-6H2,2H3
InChIKeyNMFFFBABQKUGJE-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.24
LogP ≤ 51.47
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-ethenylsulfanyl-N-methylpropan-1-amine?
The IUPAC name of 3-ethenylsulfanyl-N-methylpropan-1-amine (CID 58325880) is 3-ethenylsulfanyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-ethenylsulfanyl-N-methylpropan-1-amine?
The canonical SMILES for 3-ethenylsulfanyl-N-methylpropan-1-amine is C=CSCCCNC.
What is the InChIKey of 3-ethenylsulfanyl-N-methylpropan-1-amine?
The InChIKey is NMFFFBABQKUGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-3-8-6-4-5-7-2/h3,7H,1,4-6H2,2H3.
What are the key properties of 3-ethenylsulfanyl-N-methylpropan-1-amine?
3-ethenylsulfanyl-N-methylpropan-1-amine has a molecular weight of 131.24 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylsulfanyl-N-methylpropan-1-amine is sourced from PubChem (CID 58325880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).