6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide

C10H13NO3S2 — CID 19759893

IUPAC6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCCCC1(C(N)=O)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C10H13NO3S2/c1-2-4-10(9(11)12)6-7-3-5-15-8(7)16(10,13)14/h3,5H,2,4,6H2,1H3,(H2,11,12)
InChIKeyNLEXDSXJWVQBKA-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.10
Rot. Bonds3

About 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide

6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide (PubChem CID 19759893) has the molecular formula C10H13NO3S2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide.

Molecular Properties

Compound Name6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide
PubChem CID19759893
Molecular FormulaC10H13NO3S2
Molecular Weight259.35 g/mol
Exact Mass259.03
IUPAC Name6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide
SMILESCCCC1(C(N)=O)Cc2ccsc2S1(=O)=O
InChIInChI=1S/C10H13NO3S2/c1-2-4-10(9(11)12)6-7-3-5-15-8(7)16(10,13)14/h3,5H,2,4,6H2,1H3,(H2,11,12)
InChIKeyNLEXDSXJWVQBKA-UHFFFAOYSA-N
XLogP1.10
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentylsulfonyl-3-thiophen-3-ylpropanamide
CID 71973048
N-Ethyl-2-allyl-2,3-dihydrothieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759865
2,3-Dihydro-2-methylthieno[2,3-b]thiophene-2-carboxamide-1,1-dioxide
CID 19759896
5-methyl-4H-thieno[2,3-b]thiophene-5-carboxamide
CID 19759910
2-Aminomethyl-2,3-dihydro-2-n-propylthieno[2,3-b]thiophene-1,1-dioxide
CID 19759913
2-(Thiophen-3-ylmethyl)pentanamide
CID 66848509
(2R)-2-(thiophen-3-ylmethyl)pentanamide
CID 153710815
3-(5-Methylsulfonylthiophen-3-yl)propanamide
CID 173100954
5-[Di(thiophen-3-yl)methylsulfinyl]pentanamide
CID 10131438
N-[(3R)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 39952186
N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-3-thiophen-3-ylpropanamide
CID 39952187
N-(3-methyl-1,1-dioxothiolan-3-yl)-3-thiophen-3-ylpropanamide
CID 45795360

Frequently Asked Questions

What is the IUPAC name of 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The IUPAC name of 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide (CID 19759893) is 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide.
What is the SMILES notation for 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The canonical SMILES for 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide is CCCC1(C(N)=O)Cc2ccsc2S1(=O)=O.
What is the InChIKey of 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
The InChIKey is NLEXDSXJWVQBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S2/c1-2-4-10(9(11)12)6-7-3-5-15-8(7)16(10,13)14/h3,5H,2,4,6H2,1H3,(H2,11,12).
What are the key properties of 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide?
6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dioxo-5-propyl-4H-thieno[2,3-b]thiophene-5-carboxamide is sourced from PubChem (CID 19759893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).