ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide

C11H17N2O4S3- — CID 163712863

IUPACethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide
SMILESCC[N-]CC1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H17N2O4S3/c1-3-13-6-8-4-7(2)19(14,15)11-9(8)5-10(18-11)20(12,16)17/h5,7-8H,3-4,6H2,1-2H3,(H2,12,16,17)/q-1/t7-,8?/m0/s1
InChIKeyKKURVTKCNPYDTG-JAMMHHFISA-N
MW337.47 g/mol
LogP1.44
Rot. Bonds4

About ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide

ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide (PubChem CID 163712863) has the molecular formula C11H17N2O4S3- and a molecular weight of 337.47 g/mol. Its IUPAC name is ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide.

Molecular Properties

Compound Nameethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide
PubChem CID163712863
Molecular FormulaC11H17N2O4S3-
Molecular Weight337.47 g/mol
Exact Mass337.04
IUPAC Nameethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide
SMILESCC[N-]CC1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H17N2O4S3/c1-3-13-6-8-4-7(2)19(14,15)11-9(8)5-10(18-11)20(12,16)17/h5,7-8H,3-4,6H2,1-2H3,(H2,12,16,17)/q-1/t7-,8?/m0/s1
InChIKeyKKURVTKCNPYDTG-JAMMHHFISA-N
XLogP1.44
TPSA108.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide with MolForge

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Related Compounds

(6S)-4-hydroxy-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 72720701
(4S,6S)-4-[chloro(ethyl)amino]-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 134417106
bis((4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide);4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide;methane;hydrochloride;hydroiodide
CID 158330507
(4R,6S)-6-methyl-7,7-dioxo-4-(1,1,2,2,2-pentadeuterioethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 171381875
(Z)-but-2-enedioic acid;(4R,6R)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 171380830
N-[(4R,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]acetamide
CID 10065740
(4S,6S)-4,5,5-trideuterio-4-(ethylamino)-6-methyl-7,7-dioxo-6H-thieno[2,3-b]thiopyran-2-sulfonamide;hydrochloride
CID 171391656
6-methyl-7,7-dioxo-4-(1,1,2,2,2-pentahydroxyethylamino)-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 90866714
4-hydroxy-7,7-dioxo-6-propyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 67917629
(4S,6S)-4,6-dideuterio-4-(ethylamino)-7,7-dioxo-6-(trideuteriomethyl)-5H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 46212841
2-[ethyl-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]carbamoyl]oxyethyl 4-oxopentanoate
CID 158496858
4-amino-6-(3-hydroxypropyl)-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 67826748

Frequently Asked Questions

What is the IUPAC name of ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide?
The IUPAC name of ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide (CID 163712863) is ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide.
What is the SMILES notation for ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide?
The canonical SMILES for ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide is CC[N-]CC1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide?
The InChIKey is KKURVTKCNPYDTG-JAMMHHFISA-N. The full InChI is InChI=1S/C11H17N2O4S3/c1-3-13-6-8-4-7(2)19(14,15)11-9(8)5-10(18-11)20(12,16)17/h5,7-8H,3-4,6H2,1-2H3,(H2,12,16,17)/q-1/t7-,8?/m0/s1.
What are the key properties of ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide?
ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide has a molecular weight of 337.47 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[[(6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]methyl]azanide is sourced from PubChem (CID 163712863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).