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

C11H17N3O5S3 — CID 21157542

IUPAC(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN[C@H]1CN(CCC=O)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H17N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h5-6,9,13H,2-4,7H2,1H3,(H2,12,16,17)/t9-/m0/s1
InChIKeySOIZPKZBDIHINM-VIFPVBQESA-N
MW367.47 g/mol
LogP-0.36
Rot. Bonds6

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

(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 21157542) has the molecular formula C11H17N3O5S3 and a molecular weight of 367.47 g/mol. Its IUPAC name is (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID21157542
Molecular FormulaC11H17N3O5S3
Molecular Weight367.47 g/mol
Exact Mass367.03
IUPAC Name(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCN[C@H]1CN(CCC=O)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C11H17N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h5-6,9,13H,2-4,7H2,1H3,(H2,12,16,17)/t9-/m0/s1
InChIKeySOIZPKZBDIHINM-VIFPVBQESA-N
XLogP-0.36
TPSA126.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 21157542) is (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCN[C@H]1CN(CCC=O)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is SOIZPKZBDIHINM-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O5S3/c1-2-13-9-7-14(4-3-5-15)22(18,19)11-8(9)6-10(20-11)21(12,16)17/h5-6,9,13H,2-4,7H2,1H3,(H2,12,16,17)/t9-/m0/s1.
What are the key properties of (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
(4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 367.47 g/mol, XLogP of -0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(ethylamino)-1,1-dioxo-2-(3-oxopropyl)-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 21157542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).