4-(2-tert-butylsulfanylacetyl)piperazin-2-one

C10H18N2O2S — CID 35795928

IUPAC4-(2-tert-butylsulfanylacetyl)piperazin-2-one
SMILESCC(C)(C)SCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2S/c1-10(2,3)15-7-9(14)12-5-4-11-8(13)6-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyOEECHFPJXVXMQX-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.48
Rot. Bonds2

About 4-(2-tert-butylsulfanylacetyl)piperazin-2-one

4-(2-tert-butylsulfanylacetyl)piperazin-2-one (PubChem CID 35795928) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-(2-tert-butylsulfanylacetyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-tert-butylsulfanylacetyl)piperazin-2-one
PubChem CID35795928
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-(2-tert-butylsulfanylacetyl)piperazin-2-one
SMILESCC(C)(C)SCC(=O)N1CCNC(=O)C1
InChIInChI=1S/C10H18N2O2S/c1-10(2,3)15-7-9(14)12-5-4-11-8(13)6-12/h4-7H2,1-3H3,(H,11,13)
InChIKeyOEECHFPJXVXMQX-UHFFFAOYSA-N
XLogP0.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-difluorobutanoyl)piperazin-2-one
CID 130666948
4-(2,2-dimethylbutanoyl)piperazin-2-one
CID 62848971
4-(6-amino-4,4-dimethylhexanoyl)piperazin-2-one
CID 65292594
N-ethyl-3-oxopiperazine-1-carboxamide
CID 53017572
4-acetylpiperazin-2-one
CID 12744517
4-(2,2,4,4-tetramethylpentanoyl)piperazin-2-one
CID 130266300
N-methyl-3-oxopiperazine-1-carboxamide
CID 53017571
4-(2-amino-2-methylpropanoyl)piperazin-2-one;hydrochloride
CID 56831864
3-oxo-3-(3-oxopiperazin-1-yl)propanenitrile
CID 24700108
4-(3,3-dimethylbut-1-en-2-yl)piperazin-2-one
CID 167021506
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
4-(3-ethoxypropanoyl)piperazin-2-one
CID 62849149

Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylsulfanylacetyl)piperazin-2-one?
The IUPAC name of 4-(2-tert-butylsulfanylacetyl)piperazin-2-one (CID 35795928) is 4-(2-tert-butylsulfanylacetyl)piperazin-2-one.
What is the SMILES notation for 4-(2-tert-butylsulfanylacetyl)piperazin-2-one?
The canonical SMILES for 4-(2-tert-butylsulfanylacetyl)piperazin-2-one is CC(C)(C)SCC(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(2-tert-butylsulfanylacetyl)piperazin-2-one?
The InChIKey is OEECHFPJXVXMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-10(2,3)15-7-9(14)12-5-4-11-8(13)6-12/h4-7H2,1-3H3,(H,11,13).
What are the key properties of 4-(2-tert-butylsulfanylacetyl)piperazin-2-one?
4-(2-tert-butylsulfanylacetyl)piperazin-2-one has a molecular weight of 230.33 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylsulfanylacetyl)piperazin-2-one is sourced from PubChem (CID 35795928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).