N-methyl-N-prop-2-enylsulfanylmethanamine

C5H11NS — CID 134871379

IUPACN-methyl-N-prop-2-enylsulfanylmethanamine
SMILESC=CCSN(C)C
InChIInChI=1S/C5H11NS/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3
InChIKeyLXWLFNJBSAUVJA-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.38
Rot. Bonds3

About N-methyl-N-prop-2-enylsulfanylmethanamine

N-methyl-N-prop-2-enylsulfanylmethanamine (PubChem CID 134871379) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-methyl-N-prop-2-enylsulfanylmethanamine.

Molecular Properties

Compound NameN-methyl-N-prop-2-enylsulfanylmethanamine
PubChem CID134871379
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-methyl-N-prop-2-enylsulfanylmethanamine
SMILESC=CCSN(C)C
InChIInChI=1S/C5H11NS/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3
InChIKeyLXWLFNJBSAUVJA-UHFFFAOYSA-N
XLogP1.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-prop-2-enylsulfanylmethanamine?
The IUPAC name of N-methyl-N-prop-2-enylsulfanylmethanamine (CID 134871379) is N-methyl-N-prop-2-enylsulfanylmethanamine.
What is the SMILES notation for N-methyl-N-prop-2-enylsulfanylmethanamine?
The canonical SMILES for N-methyl-N-prop-2-enylsulfanylmethanamine is C=CCSN(C)C.
What is the InChIKey of N-methyl-N-prop-2-enylsulfanylmethanamine?
The InChIKey is LXWLFNJBSAUVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-4-5-7-6(2)3/h4H,1,5H2,2-3H3.
What are the key properties of N-methyl-N-prop-2-enylsulfanylmethanamine?
N-methyl-N-prop-2-enylsulfanylmethanamine has a molecular weight of 117.22 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-prop-2-enylsulfanylmethanamine is sourced from PubChem (CID 134871379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).