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

C11H17ClN2O2S3 — CID 14460459

IUPAC2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCC(C)(C)NCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H16N2O2S3.ClH/c1-11(2,3)13-6-8-4-7-5-9(18(12,14)15)17-10(7)16-8;/h4-5,13H,6H2,1-3H3,(H2,12,14,15);1H
InChIKeyDJXVXMKCVCJAGW-UHFFFAOYSA-N
MW340.92 g/mol
LogP2.92
Rot. Bonds3

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

2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460459) has the molecular formula C11H17ClN2O2S3 and a molecular weight of 340.92 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460459
Molecular FormulaC11H17ClN2O2S3
Molecular Weight340.92 g/mol
Exact Mass340.01
IUPAC Name2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCC(C)(C)NCc1cc2cc(S(N)(=O)=O)sc2s1.Cl
InChIInChI=1S/C11H16N2O2S3.ClH/c1-11(2,3)13-6-8-4-7-5-9(18(12,14)15)17-10(7)16-8;/h4-5,13H,6H2,1-3H3,(H2,12,14,15);1H
InChIKeyDJXVXMKCVCJAGW-UHFFFAOYSA-N
XLogP2.92
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.92
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Thiomorpholin-4-ylmethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460487
2-[1-[2-(2-Methoxyethoxy)ethylamino]ethyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 45260236
2-[(2-Methylpropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460457
2-(Methylaminomethyl)thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460461
2-[(4-Hydroxybutylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460463
2-[(2-Hydroxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460465
2-[(Cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460469
2-[(2-Methoxyethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460471
5-Methylaminomethylthieno[3,2-b]thiophene-2-sulfonamide hydrochloride
CID 14601405
5-Isobutylaminomethylthieno[3,2-b]thiophene-2-sulfonamide hydrochloride
CID 19844139
2-[(3-Methoxypropylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460473
2-[[3-(2-Methoxyethoxy)propylamino]methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
CID 14460475

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460459) is 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is CC(C)(C)NCc1cc2cc(S(N)(=O)=O)sc2s1.Cl.
What is the InChIKey of 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is DJXVXMKCVCJAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S3.ClH/c1-11(2,3)13-6-8-4-7-5-9(18(12,14)15)17-10(7)16-8;/h4-5,13H,6H2,1-3H3,(H2,12,14,15);1H.
What are the key properties of 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 340.92 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).