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

C11H15ClN2O2S3 — CID 14460469

IUPAC2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(CNCC3CC3)sc2s1
InChIInChI=1S/C11H14N2O2S3.ClH/c12-18(14,15)10-4-8-3-9(16-11(8)17-10)6-13-5-7-1-2-7;/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15);1H
InChIKeyGENYOWCOPAVQKR-UHFFFAOYSA-N
MW338.91 g/mol
LogP2.53
Rot. Bonds5

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

2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (PubChem CID 14460469) has the molecular formula C11H15ClN2O2S3 and a molecular weight of 338.91 g/mol. Its IUPAC name is 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
PubChem CID14460469
Molecular FormulaC11H15ClN2O2S3
Molecular Weight338.91 g/mol
Exact Mass338.00
IUPAC Name2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1cc2cc(CNCC3CC3)sc2s1
InChIInChI=1S/C11H14N2O2S3.ClH/c12-18(14,15)10-4-8-3-9(16-11(8)17-10)6-13-5-7-1-2-7;/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15);1H
InChIKeyGENYOWCOPAVQKR-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.91
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The IUPAC name of 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride (CID 14460469) is 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride.
What is the SMILES notation for 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The canonical SMILES for 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is Cl.NS(=O)(=O)c1cc2cc(CNCC3CC3)sc2s1.
What is the InChIKey of 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
The InChIKey is GENYOWCOPAVQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2S3.ClH/c12-18(14,15)10-4-8-3-9(16-11(8)17-10)6-13-5-7-1-2-7;/h3-4,7,13H,1-2,5-6H2,(H2,12,14,15);1H.
What are the key properties of 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride?
2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride has a molecular weight of 338.91 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylmethylamino)methyl]thieno[2,3-b]thiophene-5-sulfonamide;hydrochloride is sourced from PubChem (CID 14460469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).