1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine

C14H22N2O2S — CID 102884022

IUPAC1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H22N2O2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-19(17,18)10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3
InChIKeyWVHZUKVCZYOTCY-UHFFFAOYSA-N
MW282.41 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine

1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine (PubChem CID 102884022) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine
PubChem CID102884022
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine
SMILESCCC(N)c1ccccc1N1CCS(=O)(=O)CC1C
InChIInChI=1S/C14H22N2O2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-19(17,18)10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3
InChIKeyWVHZUKVCZYOTCY-UHFFFAOYSA-N
XLogP1.72
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine?
The IUPAC name of 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine (CID 102884022) is 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine.
What is the SMILES notation for 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine?
The canonical SMILES for 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine is CCC(N)c1ccccc1N1CCS(=O)(=O)CC1C.
What is the InChIKey of 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine?
The InChIKey is WVHZUKVCZYOTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-3-13(15)12-6-4-5-7-14(12)16-8-9-19(17,18)10-11(16)2/h4-7,11,13H,3,8-10,15H2,1-2H3.
What are the key properties of 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine?
1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine has a molecular weight of 282.41 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-amine is sourced from PubChem (CID 102884022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).