4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine

C14H17NS2 — CID 131847003

IUPAC4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine
SMILES[2H]C([2H])([2H])N(C(C)C=C(c1cccs1)c1cccs1)C([2H])([2H])[2H]
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/i2D3,3D3
InChIKeyCANBGVXYBPOLRR-XERRXZQWSA-N
MW269.47 g/mol
LogP4.19
Rot. Bonds6

About 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine

4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine (PubChem CID 131847003) has the molecular formula C14H17NS2 and a molecular weight of 269.47 g/mol. Its IUPAC name is 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine.

Molecular Properties

Compound Name4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine
PubChem CID131847003
Molecular FormulaC14H17NS2
Molecular Weight269.47 g/mol
Exact Mass269.12
IUPAC Name4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine
SMILES[2H]C([2H])([2H])N(C(C)C=C(c1cccs1)c1cccs1)C([2H])([2H])[2H]
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/i2D3,3D3
InChIKeyCANBGVXYBPOLRR-XERRXZQWSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.47
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(1,1,2,2,2-pentadeuterioethyl)-4,4-dithiophen-2-ylbut-3-en-2-amine
CID 71752507
2-(1-thiophen-2-ylprop-1-enyl)thiophene
CID 154192160
2-[(E)-2-methyloct-3-en-4-yl]thiophene
CID 146324336
1-thiophen-2-ylprop-1-en-1-ol
CID 68622229
2,5-bis(2,2-dithiophen-2-ylethenyl)thiophene
CID 102204980
2-(1,2,2-trithiophen-2-ylethenyl)thiophene
CID 15249530
2-[(Z)-1-phenyl-2-thiophen-2-ylethenyl]thiophene
CID 102409293
propan-2-amine;thiophene-2-carboxylic acid
CID 174701743
(Z)-2-thiophen-2-ylprop-1-en-1-amine
CID 89332768
2-[1-phenyl-2-[2-[2-[2-[2-[2-(2-phenyl-2-thiophen-2-ylethenyl)phenyl]ethenyl]phenyl]ethenyl]phenyl]ethenyl]thiophene
CID 59120118
(Z,3S)-3-amino-2-thiophen-2-ylprop-1-ene-1,3-diol
CID 124638952
N'-(4-propan-2-ylbenzoyl)thiophene-2-carbohydrazide
CID 959994

Frequently Asked Questions

What is the IUPAC name of 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine?
The IUPAC name of 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine (CID 131847003) is 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine.
What is the SMILES notation for 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine?
The canonical SMILES for 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine is [2H]C([2H])([2H])N(C(C)C=C(c1cccs1)c1cccs1)C([2H])([2H])[2H].
What is the InChIKey of 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine?
The InChIKey is CANBGVXYBPOLRR-XERRXZQWSA-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/i2D3,3D3.
What are the key properties of 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine?
4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine has a molecular weight of 269.47 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dithiophen-2-yl-N,N-bis(trideuteriomethyl)but-3-en-2-amine is sourced from PubChem (CID 131847003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).