2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

C9H17N3O2S — CID 61176260

IUPAC2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESCSCC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O2S/c1-15-7-8(13)11-6-9(14)12-4-2-10-3-5-12/h10H,2-7H2,1H3,(H,11,13)
InChIKeyVSLCKUOHBWTJDK-UHFFFAOYSA-N
MW231.32 g/mol
LogP-1.10
Rot. Bonds4

About 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide

2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (PubChem CID 61176260) has the molecular formula C9H17N3O2S and a molecular weight of 231.32 g/mol. Its IUPAC name is 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
PubChem CID61176260
Molecular FormulaC9H17N3O2S
Molecular Weight231.32 g/mol
Exact Mass231.10
IUPAC Name2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
SMILESCSCC(=O)NCC(=O)N1CCNCC1
InChIInChI=1S/C9H17N3O2S/c1-15-7-8(13)11-6-9(14)12-4-2-10-3-5-12/h10H,2-7H2,1H3,(H,11,13)
InChIKeyVSLCKUOHBWTJDK-UHFFFAOYSA-N
XLogP-1.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 61176259
1-(2-oxo-2-piperazin-1-ylethyl)-3-propan-2-ylurea
CID 61176089
2-[[2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]acetyl]amino]acetic acid
CID 61408091
N-[2-(1,4-diazepan-1-yl)-2-oxoethyl]-3,3-dimethylbutanamide
CID 119416513
2-ethyl-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 28708756
4-ethoxy-N-(2-oxo-2-piperazin-1-ylethyl)butanamide
CID 78918540
2-cycloheptyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide
CID 115736845
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylsulfanylacetamide
CID 51103918
4-methyl-N-(2-oxo-2-piperazin-1-ylethyl)cyclohexane-1-carboxamide
CID 81478709
N-(2-oxo-2-piperazin-1-ylethyl)-2-phenoxyacetamide
CID 28708779
3-hydroxy-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 61408614
(2R)-3,3-dimethyl-2-[(2-oxo-2-piperazin-1-ylethyl)carbamoylamino]butanoic acid
CID 103927700

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The IUPAC name of 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide (CID 61176260) is 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide.
What is the SMILES notation for 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The canonical SMILES for 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is CSCC(=O)NCC(=O)N1CCNCC1.
What is the InChIKey of 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
The InChIKey is VSLCKUOHBWTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2S/c1-15-7-8(13)11-6-9(14)12-4-2-10-3-5-12/h10H,2-7H2,1H3,(H,11,13).
What are the key properties of 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide?
2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide has a molecular weight of 231.32 g/mol, XLogP of -1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-(2-oxo-2-piperazin-1-ylethyl)acetamide is sourced from PubChem (CID 61176260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).