methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate

C12H24N2O3S — CID 55144311

IUPACmethyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCS(=O)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O3S/c1-3-5-13-11(12(15)17-2)4-6-14-7-9-18(16)10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyFMNHSIVIFPVMBE-UHFFFAOYSA-N
MW276.40 g/mol
LogP-0.02
Rot. Bonds7

About methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate

methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate (PubChem CID 55144311) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate.

Molecular Properties

Compound Namemethyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
PubChem CID55144311
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate
SMILESCCCNC(CCN1CCS(=O)CC1)C(=O)OC
InChIInChI=1S/C12H24N2O3S/c1-3-5-13-11(12(15)17-2)4-6-14-7-9-18(16)10-8-14/h11,13H,3-10H2,1-2H3
InChIKeyFMNHSIVIFPVMBE-UHFFFAOYSA-N
XLogP-0.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid
CID 55144124
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(propylamino)butanoate
CID 55145293
methyl 4-(4-methoxypiperidin-1-yl)-2-(propylamino)butanoate
CID 63029608
methyl 4-(3-methoxypyrrolidin-1-yl)-2-(propylamino)butanoate
CID 103537953
methyl (2S)-2-(propylamino)pentanoate
CID 141145827
methyl 2-(propylamino)pentanoate
CID 60795873
methyl 2-(2-pyrrolidin-1-ylethylamino)hexanoate
CID 103248818
methyl 4-(4,4-dimethylpiperidin-1-yl)-2-(ethylamino)butanoate
CID 63055247
methyl 3-(3,4-dimethylpyrrolidin-1-yl)-2-(propylamino)propanoate
CID 79183530
methyl 4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(propylamino)butanoate
CID 65324539
methyl 4-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-(propylamino)butanoate
CID 63054403
methyl 3-(3-ethyl-4-methylpiperazin-1-yl)-2-(propylamino)propanoate
CID 63633851

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate?
The IUPAC name of methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate (CID 55144311) is methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate.
What is the SMILES notation for methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate?
The canonical SMILES for methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate is CCCNC(CCN1CCS(=O)CC1)C(=O)OC.
What is the InChIKey of methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate?
The InChIKey is FMNHSIVIFPVMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c1-3-5-13-11(12(15)17-2)4-6-14-7-9-18(16)10-8-14/h11,13H,3-10H2,1-2H3.
What are the key properties of methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate?
methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate has a molecular weight of 276.40 g/mol, XLogP of -0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoate is sourced from PubChem (CID 55144311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).