(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride

C15H20ClN3O5S3 — CID 67713458

IUPAC(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
SMILESCCCN[C@H]1CN(c2ccc(O)cc2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl
InChIInChI=1S/C15H19N3O5S3.ClH/c1-2-7-17-13-9-18(10-3-5-11(19)6-4-10)26(22,23)15-12(13)8-14(24-15)25(16,20)21;/h3-6,8,13,17,19H,2,7,9H2,1H3,(H2,16,20,21);1H/t13-;/m0./s1
InChIKeyOHZIVAOBZLHQLB-ZOWNYOTGSA-N
MW454.00 g/mol
LogP1.77
Rot. Bonds5

About (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride

(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride (PubChem CID 67713458) has the molecular formula C15H20ClN3O5S3 and a molecular weight of 454.00 g/mol. Its IUPAC name is (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
PubChem CID67713458
Molecular FormulaC15H20ClN3O5S3
Molecular Weight454.00 g/mol
Exact Mass453.03
IUPAC Name(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride
SMILESCCCN[C@H]1CN(c2ccc(O)cc2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl
InChIInChI=1S/C15H19N3O5S3.ClH/c1-2-7-17-13-9-18(10-3-5-11(19)6-4-10)26(22,23)15-12(13)8-14(24-15)25(16,20)21;/h3-6,8,13,17,19H,2,7,9H2,1H3,(H2,16,20,21);1H/t13-;/m0./s1
InChIKeyOHZIVAOBZLHQLB-ZOWNYOTGSA-N
XLogP1.77
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.00
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride?
The IUPAC name of (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride (CID 67713458) is (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride.
What is the SMILES notation for (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride?
The canonical SMILES for (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride is CCCN[C@H]1CN(c2ccc(O)cc2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.Cl.
What is the InChIKey of (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride?
The InChIKey is OHZIVAOBZLHQLB-ZOWNYOTGSA-N. The full InChI is InChI=1S/C15H19N3O5S3.ClH/c1-2-7-17-13-9-18(10-3-5-11(19)6-4-10)26(22,23)15-12(13)8-14(24-15)25(16,20)21;/h3-6,8,13,17,19H,2,7,9H2,1H3,(H2,16,20,21);1H/t13-;/m0./s1.
What are the key properties of (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride?
(4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride has a molecular weight of 454.00 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2-(4-hydroxyphenyl)-1,1-dioxo-4-(propylamino)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide;hydrochloride is sourced from PubChem (CID 67713458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).