(2S)-2-methyl-1-nitrosopiperazine

C5H11N3O — CID 172967702

IUPAC(2S)-2-methyl-1-nitrosopiperazine
SMILESC[C@H]1CNCCN1N=O
InChIInChI=1S/C5H11N3O/c1-5-4-6-2-3-8(5)7-9/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyFFZPIFDCDKZBQS-YFKPBYRVSA-N
MW129.16 g/mol
LogP-0.04
Rot. Bonds1

About (2S)-2-methyl-1-nitrosopiperazine

(2S)-2-methyl-1-nitrosopiperazine (PubChem CID 172967702) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is (2S)-2-methyl-1-nitrosopiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-nitrosopiperazine
PubChem CID172967702
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC Name(2S)-2-methyl-1-nitrosopiperazine
SMILESC[C@H]1CNCCN1N=O
InChIInChI=1S/C5H11N3O/c1-5-4-6-2-3-8(5)7-9/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyFFZPIFDCDKZBQS-YFKPBYRVSA-N
XLogP-0.04
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

1-iodo-2-methylpiperazine
CID 154534640
1-fluoro-2-methylpiperazine
CID 142193617
1,2-dimethylpiperazine;hydrate
CID 173257182
1-[(2R)-2-methylpiperazin-1-yl]ethanone
CID 55300442
2-methylpiperazine-1-sulfinic acid
CID 89262183
1-[(2S)-2-methylpiperazin-1-yl]ethanone
CID 54446440
(2S)-2-methylpiperazine-1-carboxamide
CID 66855874
2-methyl-1-pyrrolidin-1-ylsulfonylpiperazine;hydrochloride
CID 119969723
2-methyl-1-(methylsulfonylmethylsulfonyl)piperazine
CID 82842565
2-methyl-1-(2-methylpiperidin-1-yl)sulfonylpiperazine
CID 62671714
(2R)-2-methyl-1-prop-2-enylsulfonylpiperazine
CID 82755088
N-tert-butyl-2-methylpiperazine-1-sulfonamide
CID 114810673

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-nitrosopiperazine?
The IUPAC name of (2S)-2-methyl-1-nitrosopiperazine (CID 172967702) is (2S)-2-methyl-1-nitrosopiperazine.
What is the SMILES notation for (2S)-2-methyl-1-nitrosopiperazine?
The canonical SMILES for (2S)-2-methyl-1-nitrosopiperazine is C[C@H]1CNCCN1N=O.
What is the InChIKey of (2S)-2-methyl-1-nitrosopiperazine?
The InChIKey is FFZPIFDCDKZBQS-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11N3O/c1-5-4-6-2-3-8(5)7-9/h5-6H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methyl-1-nitrosopiperazine?
(2S)-2-methyl-1-nitrosopiperazine has a molecular weight of 129.16 g/mol, XLogP of -0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-nitrosopiperazine is sourced from PubChem (CID 172967702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).