1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

C15H23ClN2O2S — CID 102886573

IUPAC1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(CCN1CCS(=O)(=O)CC1C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-12-11-21(19,20)10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyVKGBYROZZALSCY-UHFFFAOYSA-N
MW330.88 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 102886573) has the molecular formula C15H23ClN2O2S and a molecular weight of 330.88 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID102886573
Molecular FormulaC15H23ClN2O2S
Molecular Weight330.88 g/mol
Exact Mass330.12
IUPAC Name1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(CCN1CCS(=O)(=O)CC1C)c1ccccc1Cl
InChIInChI=1S/C15H23ClN2O2S/c1-12-11-21(19,20)10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyVKGBYROZZALSCY-UHFFFAOYSA-N
XLogP2.11
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.88
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 102886573) is 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is CNC(CCN1CCS(=O)(=O)CC1C)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is VKGBYROZZALSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2S/c1-12-11-21(19,20)10-9-18(12)8-7-15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 330.88 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 102886573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).