4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide

C11H20N2O4S3 — CID 90806174

IUPAC4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCNC1CC(C)S(=O)(=O)C2=C1CC(S(=O)(=O)NC)S2
InChIInChI=1S/C11H20N2O4S3/c1-4-13-9-5-7(2)19(14,15)11-8(9)6-10(18-11)20(16,17)12-3/h7,9-10,12-13H,4-6H2,1-3H3
InChIKeyKHITZCULEQIISA-UHFFFAOYSA-N
MW340.49 g/mol
LogP0.40
Rot. Bonds4

About 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide

4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide (PubChem CID 90806174) has the molecular formula C11H20N2O4S3 and a molecular weight of 340.49 g/mol. Its IUPAC name is 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
PubChem CID90806174
Molecular FormulaC11H20N2O4S3
Molecular Weight340.49 g/mol
Exact Mass340.06
IUPAC Name4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
SMILESCCNC1CC(C)S(=O)(=O)C2=C1CC(S(=O)(=O)NC)S2
InChIInChI=1S/C11H20N2O4S3/c1-4-13-9-5-7(2)19(14,15)11-8(9)6-10(18-11)20(16,17)12-3/h7,9-10,12-13H,4-6H2,1-3H3
InChIKeyKHITZCULEQIISA-UHFFFAOYSA-N
XLogP0.40
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide with MolForge

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Related Compounds

(4S,6S)-4-(Ethylamino)-6-methyl-7,7-dioxo-4,5,6,7a-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 24870935
(4S,6S)-4-(ethylamino)-6-methyl-1,7,7-trioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 68990769
(4S,6S)-4-(ethylamino)-6-methyl-1,1-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 69713443
4-(ethylamino)-6-methyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 78183457
7,7-dioxo-4-(2,2,2-trihydroxyethylamino)-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 90951011
(2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-3,4-dihydro-2H-thieno[2,3-b]thiopyran-6-sulfonamide
CID 91973858
5-(Ethylamino)-7-methyl-8,8-dioxo-4,5,6,7-tetrahydrothiopyrano[2,3-b]thiopyran-2-sulfonamide
CID 123446376
4-(Ethylamino)-1,1,6-trimethyl-7,7-dioxo-1-propyl-3,4,5,6-tetrahydrothieno[2,3-b]thiopyran-2-sulfonamide
CID 123660742
1-[[(2S,4S)-4-(ethylamino)-2,5-dimethyl-1,1-dioxo-3,4-dihydro-2H-thiopyran-6-yl]sulfanyl]ethenesulfonamide
CID 148226261
(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 444828
(4S,6S)-4-amino-6-methyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 444829
(4S,6S)-6-methyl-4-(methylamino)-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 444830

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide?
The IUPAC name of 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide (CID 90806174) is 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide?
The canonical SMILES for 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide is CCNC1CC(C)S(=O)(=O)C2=C1CC(S(=O)(=O)NC)S2.
What is the InChIKey of 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide?
The InChIKey is KHITZCULEQIISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4S3/c1-4-13-9-5-7(2)19(14,15)11-8(9)6-10(18-11)20(16,17)12-3/h7,9-10,12-13H,4-6H2,1-3H3.
What are the key properties of 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide?
4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide has a molecular weight of 340.49 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N,6-dimethyl-7,7-dioxo-3,4,5,6-tetrahydro-2H-thieno[2,3-b]thiopyran-2-sulfonamide is sourced from PubChem (CID 90806174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).