N-(2-methylsulfanylethyl)prop-1-en-2-amine

C6H13NS — CID 138701654

IUPACN-(2-methylsulfanylethyl)prop-1-en-2-amine
SMILESC=C(C)NCCSC
InChIInChI=1S/C6H13NS/c1-6(2)7-4-5-8-3/h7H,1,4-5H2,2-3H3
InChIKeyPCJZQHIASQQHIY-UHFFFAOYSA-N
MW131.24 g/mol
LogP1.47
Rot. Bonds4

About N-(2-methylsulfanylethyl)prop-1-en-2-amine

N-(2-methylsulfanylethyl)prop-1-en-2-amine (PubChem CID 138701654) has the molecular formula C6H13NS and a molecular weight of 131.24 g/mol. Its IUPAC name is N-(2-methylsulfanylethyl)prop-1-en-2-amine.

Molecular Properties

Compound NameN-(2-methylsulfanylethyl)prop-1-en-2-amine
PubChem CID138701654
Molecular FormulaC6H13NS
Molecular Weight131.24 g/mol
Exact Mass131.08
IUPAC NameN-(2-methylsulfanylethyl)prop-1-en-2-amine
SMILESC=C(C)NCCSC
InChIInChI=1S/C6H13NS/c1-6(2)7-4-5-8-3/h7H,1,4-5H2,2-3H3
InChIKeyPCJZQHIASQQHIY-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 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 ≤ 51.47
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 N-(2-methylsulfanylethyl)prop-1-en-2-amine?
The IUPAC name of N-(2-methylsulfanylethyl)prop-1-en-2-amine (CID 138701654) is N-(2-methylsulfanylethyl)prop-1-en-2-amine.
What is the SMILES notation for N-(2-methylsulfanylethyl)prop-1-en-2-amine?
The canonical SMILES for N-(2-methylsulfanylethyl)prop-1-en-2-amine is C=C(C)NCCSC.
What is the InChIKey of N-(2-methylsulfanylethyl)prop-1-en-2-amine?
The InChIKey is PCJZQHIASQQHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS/c1-6(2)7-4-5-8-3/h7H,1,4-5H2,2-3H3.
What are the key properties of N-(2-methylsulfanylethyl)prop-1-en-2-amine?
N-(2-methylsulfanylethyl)prop-1-en-2-amine has a molecular weight of 131.24 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfanylethyl)prop-1-en-2-amine is sourced from PubChem (CID 138701654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).