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

C11H19N3O5S3 — CID 54444800

IUPAC(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H19N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h6,9,13,15H,2-5,7H2,1H3,(H2,12,16,17)/t9-/m0/s1
InChIKeyWQSYAXSFXFVBTJ-VIFPVBQESA-N
MW369.49 g/mol
LogP-0.57
Rot. Bonds6

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

(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 54444800) has the molecular formula C11H19N3O5S3 and a molecular weight of 369.49 g/mol. Its IUPAC name is (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID54444800
Molecular FormulaC11H19N3O5S3
Molecular Weight369.49 g/mol
Exact Mass369.05
IUPAC Name(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H19N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h6,9,13,15H,2-5,7H2,1H3,(H2,12,16,17)/t9-/m0/s1
InChIKeyWQSYAXSFXFVBTJ-VIFPVBQESA-N
XLogP-0.57
TPSA129.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 54444800) is (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCN[C@H]1CN(CCCO)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is WQSYAXSFXFVBTJ-VIFPVBQESA-N. The full InChI is InChI=1S/C11H19N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h6,9,13,15H,2-5,7H2,1H3,(H2,12,16,17)/t9-/m0/s1.
What are the key properties of (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
(4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of -0.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(ethylamino)-2-(3-hydroxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 54444800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).