4-(1,1-dioxothiazinan-2-yl)aniline

C10H14N2O2S — CID 16642506

IUPAC4-(1,1-dioxothiazinan-2-yl)aniline
SMILESNc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8,11H2
InChIKeyJQNMBOVVLNFRBE-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.20
Rot. Bonds1

About 4-(1,1-dioxothiazinan-2-yl)aniline

4-(1,1-dioxothiazinan-2-yl)aniline (PubChem CID 16642506) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 4-(1,1-dioxothiazinan-2-yl)aniline.

Molecular Properties

Compound Name4-(1,1-dioxothiazinan-2-yl)aniline
PubChem CID16642506
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name4-(1,1-dioxothiazinan-2-yl)aniline
SMILESNc1ccc(N2CCCCS2(=O)=O)cc1
InChIInChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8,11H2
InChIKeyJQNMBOVVLNFRBE-UHFFFAOYSA-N
XLogP1.20
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline;hydrochloride
CID 171150549
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]ethanamine
CID 82513963
2-[4-(1,1-dioxothiazinan-2-yl)phenyl]acetic acid
CID 82514494
3-[4-(1,1-dioxothiazinan-2-yl)phenyl]propanoic acid
CID 98039511
5-(1,1-dioxothiazinan-2-yl)benzene-1,3-dicarboxylic acid
CID 116814423
2-bromo-4-(1,1-dioxo-1,2-thiazolidin-2-yl)aniline
CID 82864339
1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]ethanamine;hydrochloride
CID 75414041
4-[(1,1-dioxothiazinan-2-yl)methyl]aniline
CID 83824828
4-(1,1-dioxothiazinan-2-yl)-N-phenylbenzenesulfonamide
CID 7517150
2-(4-morpholin-4-ylsulfonylphenyl)thiazinane 1,1-dioxide
CID 7216463
1-chloro-N-[4-(1,1-dioxothiazinan-2-yl)phenyl]methanesulfonamide
CID 7584636
[3-(1,1-dioxothiazinan-2-yl)phenyl]hydrazine
CID 82084710

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-dioxothiazinan-2-yl)aniline?
The IUPAC name of 4-(1,1-dioxothiazinan-2-yl)aniline (CID 16642506) is 4-(1,1-dioxothiazinan-2-yl)aniline.
What is the SMILES notation for 4-(1,1-dioxothiazinan-2-yl)aniline?
The canonical SMILES for 4-(1,1-dioxothiazinan-2-yl)aniline is Nc1ccc(N2CCCCS2(=O)=O)cc1.
What is the InChIKey of 4-(1,1-dioxothiazinan-2-yl)aniline?
The InChIKey is JQNMBOVVLNFRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c11-9-3-5-10(6-4-9)12-7-1-2-8-15(12,13)14/h3-6H,1-2,7-8,11H2.
What are the key properties of 4-(1,1-dioxothiazinan-2-yl)aniline?
4-(1,1-dioxothiazinan-2-yl)aniline has a molecular weight of 226.30 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-dioxothiazinan-2-yl)aniline is sourced from PubChem (CID 16642506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).