tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate

C11H22N2O3S — CID 165459517

IUPACtert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CS(N)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)16-10(14)13-6-4-5-9(7-13)8-17(12)15/h9H,4-8,12H2,1-3H3
InChIKeyFJIMFIVUMDFYKP-UHFFFAOYSA-N
MW262.37 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate

tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate (PubChem CID 165459517) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
PubChem CID165459517
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC Nametert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(CS(N)=O)C1
InChIInChI=1S/C11H22N2O3S/c1-11(2,3)16-10(14)13-6-4-5-9(7-13)8-17(12)15/h9H,4-8,12H2,1-3H3
InChIKeyFJIMFIVUMDFYKP-UHFFFAOYSA-N
XLogP1.26
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(chlorosulfinylmethyl)piperidine-1-carboxylate
CID 165452616
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl (3S)-3-(2-amino-2-oxoethyl)piperidine-1-carboxylate
CID 156540665
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 69161841
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(3-amino-2-oxopropyl)piperidine-1-carboxylate
CID 82380599
tert-butyl 3-(aminomethyl)piperidine-1-carboxylate;tert-butyl 4-(aminomethyl)piperidine-1-carboxylate
CID 174823448
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate (CID 165459517) is tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(CS(N)=O)C1.
What is the InChIKey of tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate?
The InChIKey is FJIMFIVUMDFYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c1-11(2,3)16-10(14)13-6-4-5-9(7-13)8-17(12)15/h9H,4-8,12H2,1-3H3.
What are the key properties of tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate?
tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate has a molecular weight of 262.37 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(sulfinamoylmethyl)piperidine-1-carboxylate is sourced from PubChem (CID 165459517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).