(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine

C12H24N2S — CID 88683674

IUPAC(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C(\S/C(=C\CC)N(C)C)N(C)C
InChIInChI=1S/C12H24N2S/c1-7-9-11(13(3)4)15-12(10-8-2)14(5)6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-
InChIKeyULBWMHBZDHFLOC-HWAYABPNSA-N
MW228.40 g/mol
LogP3.35
Rot. Bonds6

About (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine

(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine (PubChem CID 88683674) has the molecular formula C12H24N2S and a molecular weight of 228.40 g/mol. Its IUPAC name is (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine
PubChem CID88683674
Molecular FormulaC12H24N2S
Molecular Weight228.40 g/mol
Exact Mass228.17
IUPAC Name(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine
SMILESCC/C=C(\S/C(=C\CC)N(C)C)N(C)C
InChIInChI=1S/C12H24N2S/c1-7-9-11(13(3)4)15-12(10-8-2)14(5)6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-
InChIKeyULBWMHBZDHFLOC-HWAYABPNSA-N
XLogP3.35
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-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 (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine?
The IUPAC name of (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine (CID 88683674) is (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine?
The canonical SMILES for (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine is CC/C=C(\S/C(=C\CC)N(C)C)N(C)C.
What is the InChIKey of (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine?
The InChIKey is ULBWMHBZDHFLOC-HWAYABPNSA-N. The full InChI is InChI=1S/C12H24N2S/c1-7-9-11(13(3)4)15-12(10-8-2)14(5)6/h9-10H,7-8H2,1-6H3/b11-9-,12-10-.
What are the key properties of (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine?
(Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine has a molecular weight of 228.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-1-(dimethylamino)but-1-enyl]sulfanyl-N,N-dimethylbut-1-en-1-amine is sourced from PubChem (CID 88683674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).