2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline

C11H16N2O3S2 — CID 54977271

IUPAC2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1N
InChIInChI=1S/C11H16N2O3S2/c1-9-2-3-10(8-11(9)12)18(15,16)13-4-6-17(14)7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyPCGFCEQNVSPZNU-UHFFFAOYSA-N
MW288.39 g/mol
LogP0.33
Rot. Bonds2

About 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline

2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline (PubChem CID 54977271) has the molecular formula C11H16N2O3S2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline.

Molecular Properties

Compound Name2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
PubChem CID54977271
Molecular FormulaC11H16N2O3S2
Molecular Weight288.39 g/mol
Exact Mass288.06
IUPAC Name2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
SMILESCc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1N
InChIInChI=1S/C11H16N2O3S2/c1-9-2-3-10(8-11(9)12)18(15,16)13-4-6-17(14)7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyPCGFCEQNVSPZNU-UHFFFAOYSA-N
XLogP0.33
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
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2-methyl-5-(1,4-thiazepan-4-ylsulfonyl)aniline
CID 61419001
5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]pyridin-2-amine
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3,5-dimethyl-4-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 79588686
1-(3-amino-4-methylphenyl)sulfonylpyrrolidin-3-ol
CID 62918017
1-(3-amino-4-methylphenyl)sulfonyl-3-methylpyrrolidin-3-ol
CID 103355073
2-bromo-4-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 114625488
2-[1-(3-amino-4-methylphenyl)sulfonylpiperidin-4-yl]oxyethanol
CID 82012319
2-methyl-5-(2-methylmorpholin-4-yl)sulfonylaniline
CID 43104694
4-(2,4-dimethylphenyl)sulfonyl-1,4-thiazinane 1-oxide
CID 110721585
2-methyl-5-[(2-methyl-1,4-oxazepan-4-yl)sulfonyl]aniline
CID 62987939

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The IUPAC name of 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline (CID 54977271) is 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline.
What is the SMILES notation for 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The canonical SMILES for 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline is Cc1ccc(S(=O)(=O)N2CCS(=O)CC2)cc1N.
What is the InChIKey of 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
The InChIKey is PCGFCEQNVSPZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S2/c1-9-2-3-10(8-11(9)12)18(15,16)13-4-6-17(14)7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline?
2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline has a molecular weight of 288.39 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(1-oxo-1,4-thiazinan-4-yl)sulfonyl]aniline is sourced from PubChem (CID 54977271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).