N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide

C14H26N2O2S — CID 60605726

IUPACN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2S/c1-11(17)15(5)12-6-8-16(9-7-12)13(18)10-19-14(2,3)4/h12H,6-10H2,1-5H3
InChIKeyTVFFYUSOUAHDBF-UHFFFAOYSA-N
MW286.44 g/mol
LogP1.99
Rot. Bonds3

About N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide

N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide (PubChem CID 60605726) has the molecular formula C14H26N2O2S and a molecular weight of 286.44 g/mol. Its IUPAC name is N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
PubChem CID60605726
Molecular FormulaC14H26N2O2S
Molecular Weight286.44 g/mol
Exact Mass286.17
IUPAC NameN-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CCN(C(=O)CSC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2S/c1-11(17)15(5)12-6-8-16(9-7-12)13(18)10-19-14(2,3)4/h12H,6-10H2,1-5H3
InChIKeyTVFFYUSOUAHDBF-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.44
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[acetyl(methyl)amino]piperidine-1-carboxylic acid
CID 68806542
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide
CID 54290996
4-[3-[4-[acetyl(methyl)amino]piperidin-1-yl]-3-oxopropyl]benzoic acid
CID 119182756
N-[(3R)-1-(2-aminoacetyl)pyrrolidin-3-yl]-N-methylacetamide
CID 66567524
1-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-tert-butylsulfanylethanone
CID 112630515
N-[1-(2,2-dimethylpropyl)piperidin-4-yl]-N-methylacetamide;methoxymethane
CID 54290995
N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
CID 155765572
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959
2-tert-butylsulfanyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119493378
4-tert-butylsulfanyl-1-[4-(hydroxymethyl)piperidin-1-yl]butan-1-one
CID 109380453
2-tert-butylsulfanyl-1-[3-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 55064897
tert-butyl (2R)-3-[4-[acetyl(methyl)amino]piperidin-1-yl]-2-methylpropanoate
CID 124843336

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide?
The IUPAC name of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide (CID 60605726) is N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide is CC(=O)N(C)C1CCN(C(=O)CSC(C)(C)C)CC1.
What is the InChIKey of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide?
The InChIKey is TVFFYUSOUAHDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2S/c1-11(17)15(5)12-6-8-16(9-7-12)13(18)10-19-14(2,3)4/h12H,6-10H2,1-5H3.
What are the key properties of N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide?
N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide has a molecular weight of 286.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butylsulfanylacetyl)piperidin-4-yl]-N-methylacetamide is sourced from PubChem (CID 60605726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).