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

C15H23FN2OS — CID 115996832

IUPAC1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCS(=O)CC1
InChIInChI=1S/C15H23FN2OS/c1-12(11-18-7-9-20(19)10-8-18)15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyBBPBSDDTCRQTSH-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.79
Rot. Bonds5

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

1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (PubChem CID 115996832) has the molecular formula C15H23FN2OS and a molecular weight of 298.43 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
PubChem CID115996832
Molecular FormulaC15H23FN2OS
Molecular Weight298.43 g/mol
Exact Mass298.15
IUPAC Name1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine
SMILESCNC(c1ccccc1F)C(C)CN1CCS(=O)CC1
InChIInChI=1S/C15H23FN2OS/c1-12(11-18-7-9-20(19)10-8-18)15(17-2)13-5-3-4-6-14(13)16/h3-6,12,15,17H,7-11H2,1-2H3
InChIKeyBBPBSDDTCRQTSH-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N,2-dimethyl-3-piperazin-1-ylpropan-1-amine
CID 116960892
N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)-1-phenylpropan-1-amine
CID 62617575
1-(2-fluorophenyl)-3-(3-methoxypiperidin-1-yl)-N,2-dimethylpropan-1-amine
CID 102967344
1-(2-fluorophenyl)-2-methyl-N-propyl-3-pyrrolidin-1-ylpropan-1-amine
CID 115996672
1-(2-fluorophenyl)-N,2-dimethylbutane-1,4-diamine
CID 116949640
1-(2-fluorophenyl)-N,2-dimethyl-3-(3-methylmorpholin-4-yl)propan-1-amine
CID 115996756
N'-ethyl-1-(2-fluorophenyl)-N,N',2-trimethylpropane-1,3-diamine
CID 112679820
N'-butan-2-yl-N'-ethyl-1-(2-fluorophenyl)-N,2-dimethylpropane-1,3-diamine
CID 115996733
N'-cyclopropyl-1-(2-fluorophenyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115996833
(1R,2S)-N,2-dimethyl-1-phenyl-3-pyrrolidin-1-ylpropan-1-amine
CID 70936493
1-(2-fluorophenyl)-N,N',2-trimethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 115997000
N,2-dimethyl-1-phenyl-3-piperidin-1-ylpropan-1-amine
CID 62618709

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The IUPAC name of 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine (CID 115996832) is 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The canonical SMILES for 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is CNC(c1ccccc1F)C(C)CN1CCS(=O)CC1.
What is the InChIKey of 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
The InChIKey is BBPBSDDTCRQTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2OS/c1-12(11-18-7-9-20(19)10-8-18)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-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine?
1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine has a molecular weight of 298.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N,2-dimethyl-3-(1-oxo-1,4-thiazinan-4-yl)propan-1-amine is sourced from PubChem (CID 115996832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).