(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine

C16H32N2S — CID 88683509

IUPAC(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine
SMILESCC/C=C(\S/C(=C\CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H32N2S/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h13-14H,7-12H2,1-6H3/b15-13-,16-14-
InChIKeyNFGBNSLUTWMOPI-VMNXYWKNSA-N
MW284.51 g/mol
LogP4.91
Rot. Bonds10

About (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine

(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine (PubChem CID 88683509) has the molecular formula C16H32N2S and a molecular weight of 284.51 g/mol. Its IUPAC name is (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine
PubChem CID88683509
Molecular FormulaC16H32N2S
Molecular Weight284.51 g/mol
Exact Mass284.23
IUPAC Name(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine
SMILESCC/C=C(\S/C(=C\CC)N(CC)CC)N(CC)CC
InChIInChI=1S/C16H32N2S/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h13-14H,7-12H2,1-6H3/b15-13-,16-14-
InChIKeyNFGBNSLUTWMOPI-VMNXYWKNSA-N
XLogP4.91
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.51
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-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-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine?
The IUPAC name of (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine (CID 88683509) is (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine.
What is the SMILES notation for (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine?
The canonical SMILES for (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine is CC/C=C(\S/C(=C\CC)N(CC)CC)N(CC)CC.
What is the InChIKey of (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine?
The InChIKey is NFGBNSLUTWMOPI-VMNXYWKNSA-N. The full InChI is InChI=1S/C16H32N2S/c1-7-13-15(17(9-3)10-4)19-16(14-8-2)18(11-5)12-6/h13-14H,7-12H2,1-6H3/b15-13-,16-14-.
What are the key properties of (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine?
(Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine has a molecular weight of 284.51 g/mol, XLogP of 4.91, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[(Z)-1-(diethylamino)but-1-enyl]sulfanyl-N,N-diethylbut-1-en-1-amine is sourced from PubChem (CID 88683509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).