tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate

C14H27NO6S — CID 57059338

IUPACtert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate
SMILESCCC(OC1CCN(C(=O)OC(C)(C)C)CC1)OS(C)(=O)=O
InChIInChI=1S/C14H27NO6S/c1-6-12(21-22(5,17)18)19-11-7-9-15(10-8-11)13(16)20-14(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeySRRNCEPXBVMJFM-UHFFFAOYSA-N
MW337.44 g/mol
LogP2.11
Rot. Bonds5

About tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate

tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate (PubChem CID 57059338) has the molecular formula C14H27NO6S and a molecular weight of 337.44 g/mol. Its IUPAC name is tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate
PubChem CID57059338
Molecular FormulaC14H27NO6S
Molecular Weight337.44 g/mol
Exact Mass337.16
IUPAC Nametert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate
SMILESCCC(OC1CCN(C(=O)OC(C)(C)C)CC1)OS(C)(=O)=O
InChIInChI=1S/C14H27NO6S/c1-6-12(21-22(5,17)18)19-11-7-9-15(10-8-11)13(16)20-14(2,3)4/h11-12H,6-10H2,1-5H3
InChIKeySRRNCEPXBVMJFM-UHFFFAOYSA-N
XLogP2.11
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.44
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-(1-methylsulfonyloxyethyl)piperidine-1-carboxylate
CID 23282886
tert-butyl 4-(2-methylsulfonyloxypropyl)piperidine-1-carboxylate
CID 86639836
tert-butyl 4-iodopiperidine-1-carboxylate;tert-butyl 4-methylsulfonyloxypiperidine-1-carboxylate
CID 159717995
tert-butyl 4-(oxiran-2-ylmethoxy)piperidine-1-carboxylate
CID 46941891
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
tert-butyl 4-[(2S)-1-methoxy-1-oxopropan-2-yl]oxypiperidine-1-carboxylate
CID 146599014
tert-butyl 4-carbamoyloxypiperidine-1-carboxylate
CID 21292956
tert-butyl 4-[(2R)-1-cyanopropan-2-yl]oxypiperidine-1-carboxylate
CID 155751765
tert-butyl 4-[(1R,2S)-2-amino-1-hydroxybutyl]piperidine-1-carboxylate
CID 86336778
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87851758
tert-butyl 4-(1-methoxyethyl)piperidine-1-carboxylate;propane
CID 155573661
tert-butyl 4-(diethoxymethyl)piperidine-1-carboxylate
CID 170993452

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate (CID 57059338) is tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate is CCC(OC1CCN(C(=O)OC(C)(C)C)CC1)OS(C)(=O)=O.
What is the InChIKey of tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate?
The InChIKey is SRRNCEPXBVMJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO6S/c1-6-12(21-22(5,17)18)19-11-7-9-15(10-8-11)13(16)20-14(2,3)4/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate?
tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate has a molecular weight of 337.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1-methylsulfonyloxypropoxy)piperidine-1-carboxylate is sourced from PubChem (CID 57059338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).