(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride

C10H17ClN2O4S3 — CID 18652237

IUPAC(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
SMILESCN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl
InChIInChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H/t10-;/m0./s1
InChIKeyRTSHLLUHSVPKLM-PPHPATTJSA-N
MW360.91 g/mol
LogP0.47
Rot. Bonds3

About (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride

(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride (PubChem CID 18652237) has the molecular formula C10H17ClN2O4S3 and a molecular weight of 360.91 g/mol. Its IUPAC name is (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
PubChem CID18652237
Molecular FormulaC10H17ClN2O4S3
Molecular Weight360.91 g/mol
Exact Mass360.00
IUPAC Name(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride
SMILESCN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl
InChIInChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H/t10-;/m0./s1
InChIKeyRTSHLLUHSVPKLM-PPHPATTJSA-N
XLogP0.47
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The IUPAC name of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride (CID 18652237) is (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride.
What is the SMILES notation for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The canonical SMILES for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride is CN(C)C[C@]1(C)Cc2cc(S(N)(=O)=O)sc2S1(=O)=O.Cl.
What is the InChIKey of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
The InChIKey is RTSHLLUHSVPKLM-PPHPATTJSA-N. The full InChI is InChI=1S/C10H16N2O4S3.ClH/c1-10(6-12(2)3)5-7-4-8(19(11,15)16)17-9(7)18(10,13)14;/h4H,5-6H2,1-3H3,(H2,11,15,16);1H/t10-;/m0./s1.
What are the key properties of (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride?
(5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(dimethylamino)methyl]-5-methyl-6,6-dioxo-4H-thieno[2,3-b]thiophene-2-sulfonamide;hydrochloride is sourced from PubChem (CID 18652237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).