methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate

C11H21NO5S — CID 78954390

IUPACmethyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
SMILESCOCCCS(=O)(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H21NO5S/c1-16-8-5-9-18(14,15)12-7-4-3-6-10(12)11(13)17-2/h10H,3-9H2,1-2H3
InChIKeyWBLQRTMULBLHSO-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.38
Rot. Bonds6

About methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate

methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate (PubChem CID 78954390) has the molecular formula C11H21NO5S and a molecular weight of 279.36 g/mol. Its IUPAC name is methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
PubChem CID78954390
Molecular FormulaC11H21NO5S
Molecular Weight279.36 g/mol
Exact Mass279.11
IUPAC Namemethyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate
SMILESCOCCCS(=O)(=O)N1CCCCC1C(=O)OC
InChIInChI=1S/C11H21NO5S/c1-16-8-5-9-18(14,15)12-7-4-3-6-10(12)11(13)17-2/h10H,3-9H2,1-2H3
InChIKeyWBLQRTMULBLHSO-UHFFFAOYSA-N
XLogP0.38
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl (2R)-1-(4,4,4-trifluorobutylsulfonyl)piperidine-2-carboxylate
CID 83058935
4-(2-methoxycarbonylpiperidin-1-yl)sulfonylbutanoic acid
CID 54876199
methyl 1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79005471
methyl (2R)-1-(2-methylsulfonylethylsulfonyl)piperidine-2-carboxylate
CID 79830884
methyl (2R)-1-(3-methylbutylsulfonyl)piperidine-2-carboxylate
CID 79830883
1-[1-(3-methoxypropylsulfonyl)azepan-2-yl]propan-2-one
CID 79553608
tert-butyl (2S)-1-(2-methoxyethylsulfonyl)pyrrolidine-2-carboxylate
CID 81004501
methyl 1-cyclopropylsulfonylpiperidine-2-carboxylate
CID 79033025
methyl 1-(2-ethoxy-2-oxoethyl)sulfonylpiperidine-2-carboxylate
CID 78953815
2-[1-(3-methoxypropylsulfonyl)piperidin-2-yl]cyclopentan-1-ol
CID 79545684
methyl (2R)-1-pyrrolidin-1-ylsulfonylpiperidine-2-carboxylate
CID 79830606
2-isocyanato-1-(3-methoxypropylsulfonyl)piperidine
CID 63289917

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate (CID 78954390) is methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate is COCCCS(=O)(=O)N1CCCCC1C(=O)OC.
What is the InChIKey of methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate?
The InChIKey is WBLQRTMULBLHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5S/c1-16-8-5-9-18(14,15)12-7-4-3-6-10(12)11(13)17-2/h10H,3-9H2,1-2H3.
What are the key properties of methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate?
methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate has a molecular weight of 279.36 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methoxypropylsulfonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78954390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).