(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride

C10H17ClN2O4S3 — CID 171391656

IUPAC(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
SMILESCl.[2H]C1([2H])[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc2[C@@]1([2H])NCC
InChIInChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1/i4D2,8D;
InChIKeyOSRUSFPMRGDLAG-MLFPSNPGSA-N
MW363.93 g/mol
LogP1.03
Rot. Bonds3

About (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride

(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride (PubChem CID 171391656) has the molecular formula C10H17ClN2O4S3 and a molecular weight of 363.93 g/mol. Its IUPAC name is (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
PubChem CID171391656
Molecular FormulaC10H17ClN2O4S3
Molecular Weight363.93 g/mol
Exact Mass363.02
IUPAC Name(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
SMILESCl.[2H]C1([2H])[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc2[C@@]1([2H])NCC
InChIInChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1/i4D2,8D;
InChIKeyOSRUSFPMRGDLAG-MLFPSNPGSA-N
XLogP1.03
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The IUPAC name of (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride (CID 171391656) is (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride.
What is the SMILES notation for (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The canonical SMILES for (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride is Cl.[2H]C1([2H])[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc2[C@@]1([2H])NCC.
What is the InChIKey of (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
The InChIKey is OSRUSFPMRGDLAG-MLFPSNPGSA-N. The full InChI is InChI=1S/C10H16N2O4S3.ClH/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16;/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16);1H/t6-,8-;/m0./s1/i4D2,8D;.
What are the key properties of (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride?
(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride has a molecular weight of 363.93 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride is sourced from PubChem (CID 171391656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).