tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate

C12H23NO2S — CID 116688060

IUPACtert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate
SMILESCNC1CCCC1SCC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2S/c1-12(2,3)15-11(14)8-16-10-7-5-6-9(10)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyZTSPJLGSAOJQCM-UHFFFAOYSA-N
MW245.39 g/mol
LogP2.20
Rot. Bonds4

About tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate

tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate (PubChem CID 116688060) has the molecular formula C12H23NO2S and a molecular weight of 245.39 g/mol. Its IUPAC name is tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate
PubChem CID116688060
Molecular FormulaC12H23NO2S
Molecular Weight245.39 g/mol
Exact Mass245.14
IUPAC Nametert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate
SMILESCNC1CCCC1SCC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2S/c1-12(2,3)15-11(14)8-16-10-7-5-6-9(10)13-4/h9-10,13H,5-8H2,1-4H3
InChIKeyZTSPJLGSAOJQCM-UHFFFAOYSA-N
XLogP2.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-hydroxycyclopentyl)sulfanylacetate
CID 116687281
methyl 2-[2-(methylamino)cyclododecyl]sulfanylacetate
CID 64613332
methyl 3-[2-(methylamino)cyclopentyl]sulfanylpropanoate
CID 64613523
tert-butyl 2-[3-(methylamino)cyclopentyl]sulfanylacetate
CID 116687934
tert-butyl N-[(2S)-2-(methylamino)cyclohexyl]carbamate
CID 163904666
tert-butyl 2-(methylamino)cyclohexane-1-carboxylate
CID 70853538
tert-butyl 2-(5-tert-butyl-2-cyanocyclohexyl)sulfanylacetate
CID 116687003
tert-butyl 2-(2-cyclopentyl-2-oxoethyl)sulfanylacetate
CID 116687313
methyl 2-[2-(methylamino)-5-propylcyclohexyl]sulfanylacetate
CID 64612906
tert-butyl 4-[(2-ethylsulfanylcyclopentyl)amino]-3,3-dimethylpiperidine-1-carboxylate
CID 114235580
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
tert-butyl 2-[(1S,2R)-2-(hydroxymethyl)cyclopentyl]acetate
CID 165062523

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate?
The IUPAC name of tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate (CID 116688060) is tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate.
What is the SMILES notation for tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate?
The canonical SMILES for tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate is CNC1CCCC1SCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate?
The InChIKey is ZTSPJLGSAOJQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2S/c1-12(2,3)15-11(14)8-16-10-7-5-6-9(10)13-4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate?
tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate has a molecular weight of 245.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(methylamino)cyclopentyl]sulfanylacetate is sourced from PubChem (CID 116688060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).