N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide

C14H23N3O6S3 — CID 54752132

IUPACN-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H23N3O6S3/c1-4-17(10(2)18)12-9-16(6-5-7-23-3)26(21,22)14-11(12)8-13(24-14)25(15,19)20/h8,12H,4-7,9H2,1-3H3,(H2,15,19,20)/t12-/m0/s1
InChIKeyUPKBKYQWORUHMY-LBPRGKRZSA-N
MW425.55 g/mol
LogP0.35
Rot. Bonds7

About N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide

N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide (PubChem CID 54752132) has the molecular formula C14H23N3O6S3 and a molecular weight of 425.55 g/mol. Its IUPAC name is N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide
PubChem CID54752132
Molecular FormulaC14H23N3O6S3
Molecular Weight425.55 g/mol
Exact Mass425.07
IUPAC NameN-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide
SMILESCCN(C(C)=O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H23N3O6S3/c1-4-17(10(2)18)12-9-16(6-5-7-23-3)26(21,22)14-11(12)8-13(24-14)25(15,19)20/h8,12H,4-7,9H2,1-3H3,(H2,15,19,20)/t12-/m0/s1
InChIKeyUPKBKYQWORUHMY-LBPRGKRZSA-N
XLogP0.35
TPSA127.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide with MolForge

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Related Compounds

CID 68844
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CID 4369102
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CID 6604454
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CID 10021113
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CID 4369091
CID 4369091
CID 44346142
CID 44346142
CID 54444800
CID 54444800
CID 54592382
CID 54592382
CID 24970303
CID 24970303
CID 3504707
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CID 10714881
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CID 40469210
CID 40469210

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide?
The IUPAC name of N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide (CID 54752132) is N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide.
What is the SMILES notation for N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide?
The canonical SMILES for N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide is CCN(C(C)=O)[C@H]1CN(CCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide?
The InChIKey is UPKBKYQWORUHMY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H23N3O6S3/c1-4-17(10(2)18)12-9-16(6-5-7-23-3)26(21,22)14-11(12)8-13(24-14)25(15,19)20/h8,12H,4-7,9H2,1-3H3,(H2,15,19,20)/t12-/m0/s1.
What are the key properties of N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide?
N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 0.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4R)-2-(3-methoxypropyl)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-4-yl]acetamide is sourced from PubChem (CID 54752132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).