N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

C12H17NOS2 — CID 6622424

IUPACN-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(s1)CSC2
InChIInChI=1S/C12H17NOS2/c1-8(2)3-4-13-12(14)10-5-9-6-15-7-11(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyGQUZSUWCHYYOEJ-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.27
Rot. Bonds4

About N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide

N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (PubChem CID 6622424) has the molecular formula C12H17NOS2 and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
PubChem CID6622424
Molecular FormulaC12H17NOS2
Molecular Weight255.41 g/mol
Exact Mass255.08
IUPAC NameN-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide
SMILESCC(C)CCNC(=O)c1cc2c(s1)CSC2
InChIInChI=1S/C12H17NOS2/c1-8(2)3-4-13-12(14)10-5-9-6-15-7-11(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyGQUZSUWCHYYOEJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The IUPAC name of N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide (CID 6622424) is N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is CC(C)CCNC(=O)c1cc2c(s1)CSC2.
What is the InChIKey of N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
The InChIKey is GQUZSUWCHYYOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS2/c1-8(2)3-4-13-12(14)10-5-9-6-15-7-11(9)16-10/h5,8H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide?
N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide has a molecular weight of 255.41 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-4,6-dihydrothieno[3,4-b]thiophene-2-carboxamide is sourced from PubChem (CID 6622424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).