N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide

C14H19N3O5S2 — CID 126834719

IUPACN-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cccc3c2CCO3)CC1
InChIInChI=1S/C14H19N3O5S2/c1-23(19,20)16-24(21)9-6-17(7-10-24)14(18)15-12-3-2-4-13-11(12)5-8-22-13/h2-4H,5-10H2,1H3,(H,15,18)
InChIKeySDQNHWPDQDRAOT-UHFFFAOYSA-N
MW373.46 g/mol
LogP0.90
Rot. Bonds2

About N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide

N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide (PubChem CID 126834719) has the molecular formula C14H19N3O5S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide
PubChem CID126834719
Molecular FormulaC14H19N3O5S2
Molecular Weight373.46 g/mol
Exact Mass373.08
IUPAC NameN-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide
SMILESCS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cccc3c2CCO3)CC1
InChIInChI=1S/C14H19N3O5S2/c1-23(19,20)16-24(21)9-6-17(7-10-24)14(18)15-12-3-2-4-13-11(12)5-8-22-13/h2-4H,5-10H2,1H3,(H,15,18)
InChIKeySDQNHWPDQDRAOT-UHFFFAOYSA-N
XLogP0.90
TPSA105.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide (CID 126834719) is N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide is CS(=O)(=O)N=S1(=O)CCN(C(=O)Nc2cccc3c2CCO3)CC1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide?
The InChIKey is SDQNHWPDQDRAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O5S2/c1-23(19,20)16-24(21)9-6-17(7-10-24)14(18)15-12-3-2-4-13-11(12)5-8-22-13/h2-4H,5-10H2,1H3,(H,15,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide?
N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-4-yl)-1-methylsulfonylimino-1-oxo-1,4-thiazinane-4-carboxamide is sourced from PubChem (CID 126834719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).