N-methyl-2-methylsulfanylprop-2-en-1-amine

C5H11NS — CID 88989340

IUPACN-methyl-2-methylsulfanylprop-2-en-1-amine
SMILESC=C(CNC)SC
InChIInChI=1S/C5H11NS/c1-5(7-3)4-6-2/h6H,1,4H2,2-3H3
InChIKeyLDSPNZXGRCOSCL-UHFFFAOYSA-N
MW117.22 g/mol
LogP1.08
Rot. Bonds3

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

N-methyl-2-methylsulfanylprop-2-en-1-amine (PubChem CID 88989340) has the molecular formula C5H11NS and a molecular weight of 117.22 g/mol. Its IUPAC name is N-methyl-2-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-methylsulfanylprop-2-en-1-amine
PubChem CID88989340
Molecular FormulaC5H11NS
Molecular Weight117.22 g/mol
Exact Mass117.06
IUPAC NameN-methyl-2-methylsulfanylprop-2-en-1-amine
SMILESC=C(CNC)SC
InChIInChI=1S/C5H11NS/c1-5(7-3)4-6-2/h6H,1,4H2,2-3H3
InChIKeyLDSPNZXGRCOSCL-UHFFFAOYSA-N
XLogP1.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylsulfanylprop-2-en-1-amine?
The IUPAC name of N-methyl-2-methylsulfanylprop-2-en-1-amine (CID 88989340) is N-methyl-2-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for N-methyl-2-methylsulfanylprop-2-en-1-amine is C=C(CNC)SC.
What is the InChIKey of N-methyl-2-methylsulfanylprop-2-en-1-amine?
The InChIKey is LDSPNZXGRCOSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS/c1-5(7-3)4-6-2/h6H,1,4H2,2-3H3.
What are the key properties of N-methyl-2-methylsulfanylprop-2-en-1-amine?
N-methyl-2-methylsulfanylprop-2-en-1-amine has a molecular weight of 117.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 88989340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).