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

C13H20N2O5S3 — CID 10271161

IUPACN-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide
SMILESCCC(=O)N(CC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H20N2O5S3/c1-4-11(16)15(5-2)10-6-8(3)22(17,18)13-9(10)7-12(21-13)23(14,19)20/h7-8,10H,4-6H2,1-3H3,(H2,14,19,20)/t8-,10-/m0/s1
InChIKeyCUFICBMUXYNRGF-WPRPVWTQSA-N
MW380.51 g/mol
LogP1.26
Rot. Bonds4

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

N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide (PubChem CID 10271161) has the molecular formula C13H20N2O5S3 and a molecular weight of 380.51 g/mol. Its IUPAC name is N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide
PubChem CID10271161
Molecular FormulaC13H20N2O5S3
Molecular Weight380.51 g/mol
Exact Mass380.05
IUPAC NameN-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide
SMILESCCC(=O)N(CC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C13H20N2O5S3/c1-4-11(16)15(5-2)10-6-8(3)22(17,18)13-9(10)7-12(21-13)23(14,19)20/h7-8,10H,4-6H2,1-3H3,(H2,14,19,20)/t8-,10-/m0/s1
InChIKeyCUFICBMUXYNRGF-WPRPVWTQSA-N
XLogP1.26
TPSA114.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide?
The IUPAC name of N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide (CID 10271161) is N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide.
What is the SMILES notation for N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide?
The canonical SMILES for N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide is CCC(=O)N(CC)[C@H]1C[C@H](C)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide?
The InChIKey is CUFICBMUXYNRGF-WPRPVWTQSA-N. The full InChI is InChI=1S/C13H20N2O5S3/c1-4-11(16)15(5-2)10-6-8(3)22(17,18)13-9(10)7-12(21-13)23(14,19)20/h7-8,10H,4-6H2,1-3H3,(H2,14,19,20)/t8-,10-/m0/s1.
What are the key properties of N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide?
N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide has a molecular weight of 380.51 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4S,6S)-6-methyl-7,7-dioxo-2-sulfamoyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-yl]propanamide is sourced from PubChem (CID 10271161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).