4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

C12H21N3O5S3 — CID 21114916

IUPAC4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCNC1CN(C(CC)OC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H21N3O5S3/c1-4-10(20-3)15-7-9(14-5-2)8-6-11(22(13,16)17)21-12(8)23(15,18)19/h6,9-10,14H,4-5,7H2,1-3H3,(H2,13,16,17)
InChIKeyHTGSSXHHHBDEIR-UHFFFAOYSA-N
MW383.52 g/mol
LogP0.43
Rot. Bonds6

About 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide

4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 21114916) has the molecular formula C12H21N3O5S3 and a molecular weight of 383.52 g/mol. Its IUPAC name is 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID21114916
Molecular FormulaC12H21N3O5S3
Molecular Weight383.52 g/mol
Exact Mass383.06
IUPAC Name4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCNC1CN(C(CC)OC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H21N3O5S3/c1-4-10(20-3)15-7-9(14-5-2)8-6-11(22(13,16)17)21-12(8)23(15,18)19/h6,9-10,14H,4-5,7H2,1-3H3,(H2,13,16,17)
InChIKeyHTGSSXHHHBDEIR-UHFFFAOYSA-N
XLogP0.43
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide with MolForge

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Related Compounds

(4R)-4-(ethylamino)-2-[2-(1-methoxyethoxy)ethyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 70113619
(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydron
CID 135329196
(4R)-4-(ethylamino)-2-(2-methoxyethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
CID 22846665
4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 19737948
(4R)-4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
CID 70116347
3-[(4R)-4-(ethylamino)-1,1-dioxo-6-sulfamoyl-3,4-dihydrothieno[3,2-e]thiazin-2-yl]propyl acetate
CID 54250372
(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 21157542
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
(3S)-1-[[(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-6-yl]sulfonyl]-3-hydroxybutan-2-one
CID 148514881
4-(2-methylpropylamino)-2-(2-methylsulfanylethyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 19035799
(4R)-4-(ethylamino)-2-[2-(1-methoxyethoxy)ethyl]-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
CID 70113062
4,5-dichlorobenzene-1,3-disulfonamide;(4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;(4S,6S)-4-(ethylamino)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
CID 87968299

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 21114916) is 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCNC1CN(C(CC)OC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is HTGSSXHHHBDEIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5S3/c1-4-10(20-3)15-7-9(14-5-2)8-6-11(22(13,16)17)21-12(8)23(15,18)19/h6,9-10,14H,4-5,7H2,1-3H3,(H2,13,16,17).
What are the key properties of 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 383.52 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-(1-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 21114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).