(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine

C12H20N2O3S2 — CID 24997614

IUPAC(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine
SMILESCCN[C@H]1CN(CCCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C12H20N2O3S2/c1-3-13-11-9-14(6-4-7-17-2)19(15,16)12-10(11)5-8-18-12/h5,8,11,13H,3-4,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyRXNBBGFFAMRVRB-NSHDSACASA-N
MW304.44 g/mol
LogP1.44
Rot. Bonds6

About (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine

(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine (PubChem CID 24997614) has the molecular formula C12H20N2O3S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine.

Molecular Properties

Compound Name(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine
PubChem CID24997614
Molecular FormulaC12H20N2O3S2
Molecular Weight304.44 g/mol
Exact Mass304.09
IUPAC Name(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine
SMILESCCN[C@H]1CN(CCCOC)S(=O)(=O)c2sccc21
InChIInChI=1S/C12H20N2O3S2/c1-3-13-11-9-14(6-4-7-17-2)19(15,16)12-10(11)5-8-18-12/h5,8,11,13H,3-4,6-7,9H2,1-2H3/t11-/m0/s1
InChIKeyRXNBBGFFAMRVRB-NSHDSACASA-N
XLogP1.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine?
The IUPAC name of (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine (CID 24997614) is (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine.
What is the SMILES notation for (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine?
The canonical SMILES for (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine is CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sccc21.
What is the InChIKey of (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine?
The InChIKey is RXNBBGFFAMRVRB-NSHDSACASA-N. The full InChI is InChI=1S/C12H20N2O3S2/c1-3-13-11-9-14(6-4-7-17-2)19(15,16)12-10(11)5-8-18-12/h5,8,11,13H,3-4,6-7,9H2,1-2H3/t11-/m0/s1.
What are the key properties of (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine?
(4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine has a molecular weight of 304.44 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-ethyl-2-(3-methoxypropyl)-1,1-dioxo-3,4-dihydrothieno[3,2-e]thiazin-4-amine is sourced from PubChem (CID 24997614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).