4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid

C11H22N2O3S — CID 55144124

IUPAC4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid
SMILESCCCNC(CCN1CCS(=O)CC1)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-2-4-12-10(11(14)15)3-5-13-6-8-17(16)9-7-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyPIQCAFQIZRHWPM-UHFFFAOYSA-N
MW262.37 g/mol
LogP-0.11
Rot. Bonds7

About 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid

4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid (PubChem CID 55144124) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid
PubChem CID55144124
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Name4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid
SMILESCCCNC(CCN1CCS(=O)CC1)C(=O)O
InChIInChI=1S/C11H22N2O3S/c1-2-4-12-10(11(14)15)3-5-13-6-8-17(16)9-7-13/h10,12H,2-9H2,1H3,(H,14,15)
InChIKeyPIQCAFQIZRHWPM-UHFFFAOYSA-N
XLogP-0.11
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
CID 55144311
2-(propylamino)-4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanoic acid
CID 63054187
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
CID 63055078
4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propylamino)butanoic acid
CID 66369794
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanoic acid
CID 63053759
2-(2-thiomorpholin-4-ylethylamino)hexanoic acid
CID 106326003
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
1-(2-chlorophenyl)-3-(1-oxo-1,4-thiazinan-4-yl)-N-propylpropan-1-amine
CID 62643827
3-[4-(2-methylpropyl)piperazin-1-yl]-2-(propylamino)propanoic acid
CID 62777105
calcium;hydride;4-hydroxy-2-(propylamino)butanoic acid;radon
CID 174783521
2-(propylamino)tetradecanoic acid
CID 54527307

Frequently Asked Questions

What is the IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid?
The IUPAC name of 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid (CID 55144124) is 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid is CCCNC(CCN1CCS(=O)CC1)C(=O)O.
What is the InChIKey of 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid?
The InChIKey is PIQCAFQIZRHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-2-4-12-10(11(14)15)3-5-13-6-8-17(16)9-7-13/h10,12H,2-9H2,1H3,(H,14,15).
What are the key properties of 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid?
4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid has a molecular weight of 262.37 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid is sourced from PubChem (CID 55144124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).