2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride

C11H17ClN2O2S3 — CID 19844139

IUPAC2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
SMILESCC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl
InChIInChI=1S/C11H16N2O2S3.ClH/c1-7(2)5-13-6-8-3-9-10(16-8)4-11(17-9)18(12,14)15;/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14,15);1H
InChIKeyPLXIKRHVWFWFPM-UHFFFAOYSA-N
MW340.92 g/mol
LogP2.78
Rot. Bonds5

About 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride

2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 19844139) has the molecular formula C11H17ClN2O2S3 and a molecular weight of 340.92 g/mol. Its IUPAC name is 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID19844139
Molecular FormulaC11H17ClN2O2S3
Molecular Weight340.92 g/mol
Exact Mass340.01
IUPAC Name2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride
SMILESCC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl
InChIInChI=1S/C11H16N2O2S3.ClH/c1-7(2)5-13-6-8-3-9-10(16-8)4-11(17-9)18(12,14)15;/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14,15);1H
InChIKeyPLXIKRHVWFWFPM-UHFFFAOYSA-N
XLogP2.78
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride (CID 19844139) is 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride is CC(C)CNCc1cc2sc(S(N)(=O)=O)cc2s1.Cl.
What is the InChIKey of 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is PLXIKRHVWFWFPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S3.ClH/c1-7(2)5-13-6-8-3-9-10(16-8)4-11(17-9)18(12,14)15;/h3-4,7,13H,5-6H2,1-2H3,(H2,12,14,15);1H.
What are the key properties of 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride?
2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 340.92 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropylamino)methyl]thieno[3,2-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 19844139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).