methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate

C13H24N2O5S — CID 78919646

IUPACmethyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(18,19)14-10(2)12(16)15-7-5-6-11(9-15)13(17)20-3/h10-11,14H,4-9H2,1-3H3
InChIKeyKEDMACFFWKWVMZ-UHFFFAOYSA-N
MW320.41 g/mol
LogP0.12
Rot. Bonds6

About methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate

methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate (PubChem CID 78919646) has the molecular formula C13H24N2O5S and a molecular weight of 320.41 g/mol. Its IUPAC name is methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
PubChem CID78919646
Molecular FormulaC13H24N2O5S
Molecular Weight320.41 g/mol
Exact Mass320.14
IUPAC Namemethyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate
SMILESCCCS(=O)(=O)NC(C)C(=O)N1CCCC(C(=O)OC)C1
InChIInChI=1S/C13H24N2O5S/c1-4-8-21(18,19)14-10(2)12(16)15-7-5-6-11(9-15)13(17)20-3/h10-11,14H,4-9H2,1-3H3
InChIKeyKEDMACFFWKWVMZ-UHFFFAOYSA-N
XLogP0.12
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3S)-1-(2-propylpentanoyl)piperidine-3-carboxylate
CID 113329988
methyl (3S)-1-[(2R)-2-aminopropanoyl]piperidine-3-carboxylate
CID 124508484
N-[1-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 55065368
methyl 1-(2-bromo-3-methylbutanoyl)piperidine-3-carboxylate
CID 115534218
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
ethyl 1-[2-(carbamoylamino)propanoyl]piperidine-3-carboxylate
CID 43404443
N-[1-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]propane-1-sulfonamide
CID 61408944
methyl (3S)-1-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]piperidine-3-carboxylate
CID 103310501
methyl (3S)-1-(4-methylpentanoyl)piperidine-3-carboxylate
CID 78919532
methyl 1-(azepane-1-carbonyl)piperidine-3-carboxylate
CID 113330700
methyl 1-carbamoylpiperidine-3-carboxylate
CID 66776661
methyl 1-octadecanoylpiperidine-3-carboxylate
CID 108731341

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate?
The IUPAC name of methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate (CID 78919646) is methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate is CCCS(=O)(=O)NC(C)C(=O)N1CCCC(C(=O)OC)C1.
What is the InChIKey of methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate?
The InChIKey is KEDMACFFWKWVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O5S/c1-4-8-21(18,19)14-10(2)12(16)15-7-5-6-11(9-15)13(17)20-3/h10-11,14H,4-9H2,1-3H3.
What are the key properties of methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate?
methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate has a molecular weight of 320.41 g/mol, XLogP of 0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(propylsulfonylamino)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 78919646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).