N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine

C14H17NS2 — CID 10668

💊View drug profile → dimethylthiambutene
IUPACN,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
SMILESCC(C=C(c1cccs1)c1cccs1)N(C)C
InChIInChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3
InChIKeyCANBGVXYBPOLRR-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.19
Rot. Bonds4

About N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine

N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine (PubChem CID 10668) has the molecular formula C14H17NS2 and a molecular weight of 263.43 g/mol. Its IUPAC name is N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
PubChem CID10668
Molecular FormulaC14H17NS2
Molecular Weight263.43 g/mol
Exact Mass263.08
IUPAC NameN,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine
SMILESCC(C=C(c1cccs1)c1cccs1)N(C)C
InChIInChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3
InChIKeyCANBGVXYBPOLRR-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tipepidine
CID 5484
Tiquizium Bromide
CID 72159
Diethylthiambutene
CID 6833
Ethylmethylthiambutene
CID 46424
1-(1-Methyl-3,3-di-2-thienyl-2-propen-1-yl)piperidine
CID 3041503
Tiquizium
CID 72160
(9aR)-7-(dithiophen-2-ylmethylidene)-5-methyl-1,2,3,4,6,8,9,9a-octahydroquinolizin-5-ium
CID 9822821
Dimethylthiambutene hydrochloride
CID 22028
3-Buten-2-amine, N,N-diethyl-4,4-di-2-thienyl-, hydrochloride (1:1)
CID 8585
N-Ethyl-N,1-dimethyl-3,3-di-2-thienylallylamine hydrochloride
CID 46423
2-Thiophenepropanamine, N,N-diethyl-alpha-methyl-gamma-2-thienyl-, hydrochloride
CID 113823
2-Thiophenepropanamine, N,N,alpha-trimethyl-gamma-2-thienyl-, hydrochloride
CID 113825

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The IUPAC name of N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine (CID 10668) is N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine.
What is the SMILES notation for N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The canonical SMILES for N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine is CC(C=C(c1cccs1)c1cccs1)N(C)C.
What is the InChIKey of N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
The InChIKey is CANBGVXYBPOLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NS2/c1-11(15(2)3)10-12(13-6-4-8-16-13)14-7-5-9-17-14/h4-11H,1-3H3.
What are the key properties of N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine?
N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine has a molecular weight of 263.43 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4,4-dithiophen-2-ylbut-3-en-2-amine is sourced from PubChem (CID 10668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).