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

C7H17NS — CID 142074125

IUPACethane;N-methyl-2-methylsulfanylprop-2-en-1-amine
SMILESC=C(CNC)SC.CC
InChIInChI=1S/C5H11NS.C2H6/c1-5(7-3)4-6-2;1-2/h6H,1,4H2,2-3H3;1-2H3
InChIKeyVRMYHBJCDNITHC-UHFFFAOYSA-N
MW147.29 g/mol
LogP2.11
Rot. Bonds3

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

ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine (PubChem CID 142074125) has the molecular formula C7H17NS and a molecular weight of 147.29 g/mol. Its IUPAC name is ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine.

Molecular Properties

Compound Nameethane;N-methyl-2-methylsulfanylprop-2-en-1-amine
PubChem CID142074125
Molecular FormulaC7H17NS
Molecular Weight147.29 g/mol
Exact Mass147.11
IUPAC Nameethane;N-methyl-2-methylsulfanylprop-2-en-1-amine
SMILESC=C(CNC)SC.CC
InChIInChI=1S/C5H11NS.C2H6/c1-5(7-3)4-6-2;1-2/h6H,1,4H2,2-3H3;1-2H3
InChIKeyVRMYHBJCDNITHC-UHFFFAOYSA-N
XLogP2.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine?
The IUPAC name of ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine (CID 142074125) is ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine.
What is the SMILES notation for ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine?
The canonical SMILES for ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine is C=C(CNC)SC.CC.
What is the InChIKey of ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine?
The InChIKey is VRMYHBJCDNITHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NS.C2H6/c1-5(7-3)4-6-2;1-2/h6H,1,4H2,2-3H3;1-2H3.
What are the key properties of ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine?
ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine has a molecular weight of 147.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-2-methylsulfanylprop-2-en-1-amine is sourced from PubChem (CID 142074125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).