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

C14H25N3O6S3 — CID 19737948

IUPAC4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCNC1CN(CCCOCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H25N3O6S3/c1-3-16-12-10-17(5-4-6-23-8-7-22-2)26(20,21)14-11(12)9-13(24-14)25(15,18)19/h9,12,16H,3-8,10H2,1-2H3,(H2,15,18,19)
InChIKeyYPZGURITZFDKQT-UHFFFAOYSA-N
MW427.57 g/mol
LogP0.10
Rot. Bonds10

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

4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (PubChem CID 19737948) has the molecular formula C14H25N3O6S3 and a molecular weight of 427.57 g/mol. Its IUPAC name is 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.

Molecular Properties

Compound Name4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
PubChem CID19737948
Molecular FormulaC14H25N3O6S3
Molecular Weight427.57 g/mol
Exact Mass427.09
IUPAC Name4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide
SMILESCCNC1CN(CCCOCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
InChIInChI=1S/C14H25N3O6S3/c1-3-16-12-10-17(5-4-6-23-8-7-22-2)26(20,21)14-11(12)9-13(24-14)25(15,18)19/h9,12,16H,3-8,10H2,1-2H3,(H2,15,18,19)
InChIKeyYPZGURITZFDKQT-UHFFFAOYSA-N
XLogP0.10
TPSA128.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The IUPAC name of 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide (CID 19737948) is 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide.
What is the SMILES notation for 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The canonical SMILES for 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is CCNC1CN(CCCOCCOC)S(=O)(=O)c2sc(S(N)(=O)=O)cc21.
What is the InChIKey of 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
The InChIKey is YPZGURITZFDKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O6S3/c1-3-16-12-10-17(5-4-6-23-8-7-22-2)26(20,21)14-11(12)9-13(24-14)25(15,18)19/h9,12,16H,3-8,10H2,1-2H3,(H2,15,18,19).
What are the key properties of 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide?
4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide has a molecular weight of 427.57 g/mol, XLogP of 0.10, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-2-[3-(2-methoxyethoxy)propyl]-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazine-6-sulfonamide is sourced from PubChem (CID 19737948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).