1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one

C13H16N2O4S2 — CID 110721628

IUPAC1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCS(=O)CC3)ccc21
InChIInChI=1S/C13H16N2O4S2/c1-14-12-3-2-11(8-10(12)9-13(14)16)21(18,19)15-4-6-20(17)7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyFPZWBSGPZGOXLX-UHFFFAOYSA-N
MW328.42 g/mol
LogP-0.04
Rot. Bonds2

About 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one

1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one (PubChem CID 110721628) has the molecular formula C13H16N2O4S2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
PubChem CID110721628
Molecular FormulaC13H16N2O4S2
Molecular Weight328.42 g/mol
Exact Mass328.06
IUPAC Name1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one
SMILESCN1C(=O)Cc2cc(S(=O)(=O)N3CCS(=O)CC3)ccc21
InChIInChI=1S/C13H16N2O4S2/c1-14-12-3-2-11(8-10(12)9-13(14)16)21(18,19)15-4-6-20(17)7-5-15/h2-3,8H,4-7,9H2,1H3
InChIKeyFPZWBSGPZGOXLX-UHFFFAOYSA-N
XLogP-0.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one?
The IUPAC name of 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one (CID 110721628) is 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one.
What is the SMILES notation for 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one?
The canonical SMILES for 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one is CN1C(=O)Cc2cc(S(=O)(=O)N3CCS(=O)CC3)ccc21.
What is the InChIKey of 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one?
The InChIKey is FPZWBSGPZGOXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S2/c1-14-12-3-2-11(8-10(12)9-13(14)16)21(18,19)15-4-6-20(17)7-5-15/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one?
1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one has a molecular weight of 328.42 g/mol, XLogP of -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]-3H-indol-2-one is sourced from PubChem (CID 110721628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).