N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine

C7H15NS — CID 75166264

IUPACN,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
SMILESCSC(C)C=CN(C)C
InChIInChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3
InChIKeyJIRXVXHPEJBVJN-UHFFFAOYSA-N
MW145.27 g/mol
LogP1.81
Rot. Bonds3

About N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine

N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine (PubChem CID 75166264) has the molecular formula C7H15NS and a molecular weight of 145.27 g/mol. Its IUPAC name is N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
PubChem CID75166264
Molecular FormulaC7H15NS
Molecular Weight145.27 g/mol
Exact Mass145.09
IUPAC NameN,N-dimethyl-3-methylsulfanylbut-1-en-1-amine
SMILESCSC(C)C=CN(C)C
InChIInChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3
InChIKeyJIRXVXHPEJBVJN-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.27
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
The IUPAC name of N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine (CID 75166264) is N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine.
What is the SMILES notation for N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
The canonical SMILES for N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine is CSC(C)C=CN(C)C.
What is the InChIKey of N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
The InChIKey is JIRXVXHPEJBVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NS/c1-7(9-4)5-6-8(2)3/h5-7H,1-4H3.
What are the key properties of N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine?
N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine has a molecular weight of 145.27 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-methylsulfanylbut-1-en-1-amine is sourced from PubChem (CID 75166264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).