N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine

C12H19NS — CID 139359284

IUPACN-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine
SMILESC=CSC(=C)CCN(C)CC(=C)C=C
InChIInChI=1S/C12H19NS/c1-6-11(3)10-13(5)9-8-12(4)14-7-2/h6-7H,1-4,8-10H2,5H3
InChIKeyRBFUORCVCDEYRW-UHFFFAOYSA-N
MW209.36 g/mol
LogP3.44
Rot. Bonds8

About N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine

N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine (PubChem CID 139359284) has the molecular formula C12H19NS and a molecular weight of 209.36 g/mol. Its IUPAC name is N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine.

Molecular Properties

Compound NameN-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine
PubChem CID139359284
Molecular FormulaC12H19NS
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC NameN-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine
SMILESC=CSC(=C)CCN(C)CC(=C)C=C
InChIInChI=1S/C12H19NS/c1-6-11(3)10-13(5)9-8-12(4)14-7-2/h6-7H,1-4,8-10H2,5H3
InChIKeyRBFUORCVCDEYRW-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine?
The IUPAC name of N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine (CID 139359284) is N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine.
What is the SMILES notation for N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine?
The canonical SMILES for N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine is C=CSC(=C)CCN(C)CC(=C)C=C.
What is the InChIKey of N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine?
The InChIKey is RBFUORCVCDEYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NS/c1-6-11(3)10-13(5)9-8-12(4)14-7-2/h6-7H,1-4,8-10H2,5H3.
What are the key properties of N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine?
N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine has a molecular weight of 209.36 g/mol, XLogP of 3.44, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenylsulfanylbut-3-enyl)-N-methyl-2-methylidenebut-3-en-1-amine is sourced from PubChem (CID 139359284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).