N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline

C14H22N2O2S — CID 71988968

IUPACN,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
SMILESCC1CS(=O)(=O)CCN1Cc1ccccc1N(C)C
InChIInChI=1S/C14H22N2O2S/c1-12-11-19(17,18)9-8-16(12)10-13-6-4-5-7-14(13)15(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyXLGXYRLWZKHLTB-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.37
Rot. Bonds3

About N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline

N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline (PubChem CID 71988968) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
PubChem CID71988968
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC NameN,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline
SMILESCC1CS(=O)(=O)CCN1Cc1ccccc1N(C)C
InChIInChI=1S/C14H22N2O2S/c1-12-11-19(17,18)9-8-16(12)10-13-6-4-5-7-14(13)15(2)3/h4-7,12H,8-11H2,1-3H3
InChIKeyXLGXYRLWZKHLTB-UHFFFAOYSA-N
XLogP1.37
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline?
The IUPAC name of N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline (CID 71988968) is N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline.
What is the SMILES notation for N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline?
The canonical SMILES for N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline is CC1CS(=O)(=O)CCN1Cc1ccccc1N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline?
The InChIKey is XLGXYRLWZKHLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-12-11-19(17,18)9-8-16(12)10-13-6-4-5-7-14(13)15(2)3/h4-7,12H,8-11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline?
N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline has a molecular weight of 282.41 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)methyl]aniline is sourced from PubChem (CID 71988968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).