3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one

C9H16N2O2S — CID 63606717

IUPAC3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
SMILESCSCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2)8(13)10-4-5-11(9)7(12)6-14-3/h4-6H2,1-3H3,(H,10,13)
InChIKeyNDZCHCXZXOOZEF-UHFFFAOYSA-N
MW216.31 g/mol
LogP0.09
Rot. Bonds2

About 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one

3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one (PubChem CID 63606717) has the molecular formula C9H16N2O2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one.

Molecular Properties

Compound Name3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
PubChem CID63606717
Molecular FormulaC9H16N2O2S
Molecular Weight216.31 g/mol
Exact Mass216.09
IUPAC Name3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one
SMILESCSCC(=O)N1CCNC(=O)C1(C)C
InChIInChI=1S/C9H16N2O2S/c1-9(2)8(13)10-4-5-11(9)7(12)6-14-3/h4-6H2,1-3H3,(H,10,13)
InChIKeyNDZCHCXZXOOZEF-UHFFFAOYSA-N
XLogP0.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
3,3-dimethyl-4-[2-(methylamino)acetyl]piperazin-2-one
CID 63606213
3,3-dimethyl-4-(2-methylsulfonylacetyl)piperazin-2-one
CID 63938495
N-[2-(2,2-dimethyl-3-oxopiperazin-1-yl)-2-oxoethyl]acetamide
CID 63605846
4-(3,4-dimethylhexanoyl)-3,3-dimethylpiperazin-2-one
CID 23790775
4-(5-chloropentanoyl)-3,3-dimethylpiperazin-2-one
CID 63608228
4-[2-(2-methoxyethoxy)acetyl]-3,3-dimethylpiperazin-2-one
CID 63607388
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
4-[3-(ethylamino)propanoyl]-3,3-dimethylpiperazin-2-one
CID 63607222
4-[(2S)-2-amino-4-methylsulfanylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 55218249
4-[2-(1,1-dioxothiolan-3-yl)sulfanylacetyl]-3,3-dimethylpiperazin-2-one
CID 63362460
4-[3-(2,2-difluoroethoxy)propanoyl]-3,3-dimethylpiperazin-2-one
CID 103209266

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one?
The IUPAC name of 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one (CID 63606717) is 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one.
What is the SMILES notation for 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one?
The canonical SMILES for 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one is CSCC(=O)N1CCNC(=O)C1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one?
The InChIKey is NDZCHCXZXOOZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2S/c1-9(2)8(13)10-4-5-11(9)7(12)6-14-3/h4-6H2,1-3H3,(H,10,13).
What are the key properties of 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one?
3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one has a molecular weight of 216.31 g/mol, XLogP of 0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(2-methylsulfanylacetyl)piperazin-2-one is sourced from PubChem (CID 63606717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).