ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine

C8H19NS — CID 143646681

IUPACethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
SMILESC=C(CCSC)NC.CC
InChIInChI=1S/C6H13NS.C2H6/c1-6(7-2)4-5-8-3;1-2/h7H,1,4-5H2,2-3H3;1-2H3
InChIKeyQRMAZPCMHHFFRT-UHFFFAOYSA-N
MW161.31 g/mol
LogP2.50
Rot. Bonds4

About ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine

ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine (PubChem CID 143646681) has the molecular formula C8H19NS and a molecular weight of 161.31 g/mol. Its IUPAC name is ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
PubChem CID143646681
Molecular FormulaC8H19NS
Molecular Weight161.31 g/mol
Exact Mass161.12
IUPAC Nameethane;N-methyl-4-methylsulfanylbut-1-en-2-amine
SMILESC=C(CCSC)NC.CC
InChIInChI=1S/C6H13NS.C2H6/c1-6(7-2)4-5-8-3;1-2/h7H,1,4-5H2,2-3H3;1-2H3
InChIKeyQRMAZPCMHHFFRT-UHFFFAOYSA-N
XLogP2.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine?
The IUPAC name of ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine (CID 143646681) is ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine.
What is the SMILES notation for ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine?
The canonical SMILES for ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine is C=C(CCSC)NC.CC.
What is the InChIKey of ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine?
The InChIKey is QRMAZPCMHHFFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NS.C2H6/c1-6(7-2)4-5-8-3;1-2/h7H,1,4-5H2,2-3H3;1-2H3.
What are the key properties of ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine?
ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine has a molecular weight of 161.31 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-methyl-4-methylsulfanylbut-1-en-2-amine is sourced from PubChem (CID 143646681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).