N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine

C15H24N2OS — CID 62617575

IUPACN,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCS(=O)CC1
InChIInChI=1S/C15H24N2OS/c1-13(12-17-8-10-19(18)11-9-17)15(16-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyAPQBFFACCQXINM-UHFFFAOYSA-N
MW280.44 g/mol
LogP1.65
Rot. Bonds5

About N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine

N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine (PubChem CID 62617575) has the molecular formula C15H24N2OS and a molecular weight of 280.44 g/mol. Its IUPAC name is N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
PubChem CID62617575
Molecular FormulaC15H24N2OS
Molecular Weight280.44 g/mol
Exact Mass280.16
IUPAC NameN,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
SMILESCNC(c1ccccc1)C(C)CN1CCS(=O)CC1
InChIInChI=1S/C15H24N2OS/c1-13(12-17-8-10-19(18)11-9-17)15(16-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3
InChIKeyAPQBFFACCQXINM-UHFFFAOYSA-N
XLogP1.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709
1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
CID 115996832
3-[3-(methoxymethyl)piperidin-1-yl]-N,2-dimethyl-1-phenylpropan-1-amine
CID 106589070
N,N',N',2-tetramethyl-1-phenylpropane-1,3-diamine
CID 62618717
2-methyl-3-(methylamino)-3-phenylpropan-1-ol
CID 64813233
N-ethyl-2-methyl-1-phenyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618034
[1-[2-methyl-3-(methylamino)-3-phenylpropyl]piperidin-2-yl]methanol
CID 62617928
2-methyl-1-phenyl-N-propyl-3-thiomorpholin-4-ylpropan-1-amine
CID 62618035
N'-ethyl-N,N',2-trimethyl-1-phenylpropane-1,3-diamine
CID 62619239
N-ethyl-3-(4-methoxypiperidin-1-yl)-2-methyl-1-phenylpropan-1-amine
CID 62618390
1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine?
The IUPAC name of N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine (CID 62617575) is N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine.
What is the SMILES notation for N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine?
The canonical SMILES for N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine is CNC(c1ccccc1)C(C)CN1CCS(=O)CC1.
What is the InChIKey of N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine?
The InChIKey is APQBFFACCQXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2OS/c1-13(12-17-8-10-19(18)11-9-17)15(16-2)14-6-4-3-5-7-14/h3-7,13,15-16H,8-12H2,1-2H3.
What are the key properties of N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine?
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine has a molecular weight of 280.44 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine is sourced from PubChem (CID 62617575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).