5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline

C11H16N2O2S — CID 43164169

IUPAC5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1N
InChIInChI=1S/C11H16N2O2S/c1-9-2-3-10(8-11(9)12)13-4-6-16(14,15)7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyCFLQQLZGHUSDCV-UHFFFAOYSA-N
MW240.33 g/mol
LogP0.81
Rot. Bonds1

About 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline

5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline (PubChem CID 43164169) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
PubChem CID43164169
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline
SMILESCc1ccc(N2CCS(=O)(=O)CC2)cc1N
InChIInChI=1S/C11H16N2O2S/c1-9-2-3-10(8-11(9)12)13-4-6-16(14,15)7-5-13/h2-3,8H,4-7,12H2,1H3
InChIKeyCFLQQLZGHUSDCV-UHFFFAOYSA-N
XLogP0.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 50.81
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-methyl-5-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)aniline
CID 102882565
5-(4,4-dimethylazepan-1-yl)-2-methylaniline
CID 65283379
1-(3-amino-4-methylphenyl)-N,N-dimethylpiperidin-4-amine
CID 55130361
N-[2-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-N-methylmethanesulfonamide
CID 176909120
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-propoxyaniline
CID 63670322
carbon dioxide;4-(4-methylphenyl)-1,4-thiazinane 1,1-dioxide
CID 160755106
2-[1-(3-amino-4-methylphenyl)piperidin-4-yl]acetamide
CID 62912486
5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylaniline
CID 62911812
[4-(3-amino-4-methylphenyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 82533937
5-(4-ethoxypiperidin-1-yl)-2-methylaniline
CID 62911119
(1S)-1-[2-bromo-4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]ethanamine
CID 114068960
3-(1,1-dioxo-1,4-thiazinan-4-yl)-5-methoxyaniline
CID 80731185

Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline?
The IUPAC name of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline (CID 43164169) is 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline.
What is the SMILES notation for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline?
The canonical SMILES for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline is Cc1ccc(N2CCS(=O)(=O)CC2)cc1N.
What is the InChIKey of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline?
The InChIKey is CFLQQLZGHUSDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-9-2-3-10(8-11(9)12)13-4-6-16(14,15)7-5-13/h2-3,8H,4-7,12H2,1H3.
What are the key properties of 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline?
5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline has a molecular weight of 240.33 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxo-1,4-thiazinan-4-yl)-2-methylaniline is sourced from PubChem (CID 43164169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).