methyl 1-propylsulfonylpiperidine-4-carboxylate

C10H19NO4S — CID 3657168

IUPACmethyl 1-propylsulfonylpiperidine-4-carboxylate
SMILESCCCS(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H19NO4S/c1-3-8-16(13,14)11-6-4-9(5-7-11)10(12)15-2/h9H,3-8H2,1-2H3
InChIKeyGGHFIUTYVLKKIG-UHFFFAOYSA-N
MW249.33 g/mol
LogP0.61
Rot. Bonds4

About methyl 1-propylsulfonylpiperidine-4-carboxylate

methyl 1-propylsulfonylpiperidine-4-carboxylate (PubChem CID 3657168) has the molecular formula C10H19NO4S and a molecular weight of 249.33 g/mol. Its IUPAC name is methyl 1-propylsulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-propylsulfonylpiperidine-4-carboxylate
PubChem CID3657168
Molecular FormulaC10H19NO4S
Molecular Weight249.33 g/mol
Exact Mass249.10
IUPAC Namemethyl 1-propylsulfonylpiperidine-4-carboxylate
SMILESCCCS(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C10H19NO4S/c1-3-8-16(13,14)11-6-4-9(5-7-11)10(12)15-2/h9H,3-8H2,1-2H3
InChIKeyGGHFIUTYVLKKIG-UHFFFAOYSA-N
XLogP0.61
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-propylsulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-propylsulfonylpiperidine-4-carboxylate (CID 3657168) is methyl 1-propylsulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-propylsulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-propylsulfonylpiperidine-4-carboxylate is CCCS(=O)(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-propylsulfonylpiperidine-4-carboxylate?
The InChIKey is GGHFIUTYVLKKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4S/c1-3-8-16(13,14)11-6-4-9(5-7-11)10(12)15-2/h9H,3-8H2,1-2H3.
What are the key properties of methyl 1-propylsulfonylpiperidine-4-carboxylate?
methyl 1-propylsulfonylpiperidine-4-carboxylate has a molecular weight of 249.33 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-propylsulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 3657168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).