2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide

C7H15N3O3S — CID 84686765

IUPAC2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide
SMILESCS(=O)(=O)N1CCC(CC(=O)NN)C1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-3-2-6(5-10)4-7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyVZQCJTPEGFSOEB-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.35
Rot. Bonds3

About 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide

2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide (PubChem CID 84686765) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide
PubChem CID84686765
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide
SMILESCS(=O)(=O)N1CCC(CC(=O)NN)C1
InChIInChI=1S/C7H15N3O3S/c1-14(12,13)10-3-2-6(5-10)4-7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11)
InChIKeyVZQCJTPEGFSOEB-UHFFFAOYSA-N
XLogP-1.35
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]prop-2-enamide
CID 167842346
2-(1-methylsulfonylazetidin-2-yl)acetohydrazide
CID 84675189
N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]acetamide
CID 155154969
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
3-amino-3-methyl-1-(1-methylsulfonylpiperidin-3-yl)butan-2-one
CID 116560110
3-(2,2-dimethylpropyl)-1-methylsulfonylpyrrolidine
CID 59148137
2-methyl-N-[2-(1-methylsulfonylpyrrolidin-3-yl)ethyl]propanamide
CID 164739907
cis-(1R,3S)-2,2-dimethyl-3-[(1-methylsulfonylpyrrolidin-3-yl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122066651
1-(ethylamino)-3-(1-methylsulfonylpiperidin-3-yl)propan-2-one
CID 116562490
N-[(1-methylsulfonylpiperidin-3-yl)methyl]propan-1-amine
CID 63878581
1-[1-(aminomethyl)cyclobutyl]-2-(1-methylsulfonylpiperidin-3-yl)ethanone
CID 116600281
2-(1-methylsulfonylpiperidin-4-yl)ethylhydrazine
CID 84687127

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide?
The IUPAC name of 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide (CID 84686765) is 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide?
The canonical SMILES for 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide is CS(=O)(=O)N1CCC(CC(=O)NN)C1.
What is the InChIKey of 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide?
The InChIKey is VZQCJTPEGFSOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-14(12,13)10-3-2-6(5-10)4-7(11)9-8/h6H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide?
2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide has a molecular weight of 221.28 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylpyrrolidin-3-yl)acetohydrazide is sourced from PubChem (CID 84686765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).