N-methyl-1-propylsulfanylprop-2-en-1-amine

C7H15NS — CID 138721745

IUPACN-methyl-1-propylsulfanylprop-2-en-1-amine
SMILESC=CC(NC)SCCC
InChIInChI=1S/C7H15NS/c1-4-6-9-7(5-2)8-3/h5,7-8H,2,4,6H2,1,3H3
InChIKeySBBLRFKKCKCTCP-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.86
Rot. Bonds5

About N-methyl-1-propylsulfanylprop-2-en-1-amine

N-methyl-1-propylsulfanylprop-2-en-1-amine (PubChem CID 138721745) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N-methyl-1-propylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-1-propylsulfanylprop-2-en-1-amine
PubChem CID138721745
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN-methyl-1-propylsulfanylprop-2-en-1-amine
SMILESC=CC(NC)SCCC
InChIInChI=1S/C7H15NS/c1-4-6-9-7(5-2)8-3/h5,7-8H,2,4,6H2,1,3H3
InChIKeySBBLRFKKCKCTCP-UHFFFAOYSA-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': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-propylsulfanylprop-2-en-1-amine?
The IUPAC name of N-methyl-1-propylsulfanylprop-2-en-1-amine (CID 138721745) is N-methyl-1-propylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-1-propylsulfanylprop-2-en-1-amine?
The canonical SMILES for N-methyl-1-propylsulfanylprop-2-en-1-amine is C=CC(NC)SCCC.
What is the InChIKey of N-methyl-1-propylsulfanylprop-2-en-1-amine?
The InChIKey is SBBLRFKKCKCTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-4-6-9-7(5-2)8-3/h5,7-8H,2,4,6H2,1,3H3.
What are the key properties of N-methyl-1-propylsulfanylprop-2-en-1-amine?
N-methyl-1-propylsulfanylprop-2-en-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 N-methyl-1-propylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 138721745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).