[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone

C15H27NO2S — CID 129356642

IUPAC[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H27NO2S/c1-15(2,3)19-11-13-6-4-5-8-16(13)14(17)12-7-9-18-10-12/h12-13H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyGEPFLYIRZWCACZ-CHWSQXEVSA-N
MW285.45 g/mol
LogP2.94
Rot. Bonds3

About [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone

[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone (PubChem CID 129356642) has the molecular formula C15H27NO2S and a molecular weight of 285.45 g/mol. Its IUPAC name is [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
PubChem CID129356642
Molecular FormulaC15H27NO2S
Molecular Weight285.45 g/mol
Exact Mass285.18
IUPAC Name[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone
SMILESCC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCOC1
InChIInChI=1S/C15H27NO2S/c1-15(2,3)19-11-13-6-4-5-8-16(13)14(17)12-7-9-18-10-12/h12-13H,4-11H2,1-3H3/t12-,13-/m1/s1
InChIKeyGEPFLYIRZWCACZ-CHWSQXEVSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(1S)-cyclohex-3-en-1-yl]methanone
CID 129357274
[2-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-3-yl)methanone;hydrochloride
CID 119261296
1-[2-(tert-butylsulfanylmethyl)piperidin-1-yl]-2-methoxyethanone
CID 119105804
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(3R)-oxolan-3-yl]methanone
CID 95294899
[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 129356913
[(3R)-oxolan-3-yl]-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95603909
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
2-tert-butylsulfanyl-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116636535
1-[2-(tert-butylsulfanylmethyl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 119105799
1-[(2S)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 129356966
2-[4-(oxolane-3-carbonyl)thiomorpholin-3-yl]acetic acid
CID 66444452

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The IUPAC name of [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone (CID 129356642) is [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone.
What is the SMILES notation for [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The canonical SMILES for [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone is CC(C)(C)SC[C@H]1CCCCN1C(=O)[C@@H]1CCOC1.
What is the InChIKey of [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
The InChIKey is GEPFLYIRZWCACZ-CHWSQXEVSA-N. The full InChI is InChI=1S/C15H27NO2S/c1-15(2,3)19-11-13-6-4-5-8-16(13)14(17)12-7-9-18-10-12/h12-13H,4-11H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone?
[(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone has a molecular weight of 285.45 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(tert-butylsulfanylmethyl)piperidin-1-yl]-[(3R)-oxolan-3-yl]methanone is sourced from PubChem (CID 129356642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).