1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

C16H26N2O2S — CID 102886494

IUPAC1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCc1cc(C)cc(C(N)CCN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C16H26N2O2S/c1-12-8-13(2)10-15(9-12)16(17)4-5-18-6-7-21(19,20)11-14(18)3/h8-10,14,16H,4-7,11,17H2,1-3H3
InChIKeyZESRLZYBTIVBCA-UHFFFAOYSA-N
MW310.46 g/mol
LogP1.81
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine

1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 102886494) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID102886494
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCc1cc(C)cc(C(N)CCN2CCS(=O)(=O)CC2C)c1
InChIInChI=1S/C16H26N2O2S/c1-12-8-13(2)10-15(9-12)16(17)4-5-18-6-7-21(19,20)11-14(18)3/h8-10,14,16H,4-7,11,17H2,1-3H3
InChIKeyZESRLZYBTIVBCA-UHFFFAOYSA-N
XLogP1.81
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine (CID 102886494) is 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is Cc1cc(C)cc(C(N)CCN2CCS(=O)(=O)CC2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is ZESRLZYBTIVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-12-8-13(2)10-15(9-12)16(17)4-5-18-6-7-21(19,20)11-14(18)3/h8-10,14,16H,4-7,11,17H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine?
1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 310.46 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 102886494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).