2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide

C7H15N3O3S — CID 130729612

IUPAC2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide
SMILESCC1(C(=O)NN)CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15N3O3S/c1-7(6(11)9-8)4-3-5-10(7)14(2,12)13/h3-5,8H2,1-2H3,(H,9,11)
InChIKeyRCAPXOBXFRDLJU-UHFFFAOYSA-N
MW221.28 g/mol
LogP-1.21
Rot. Bonds2

About 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide

2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide (PubChem CID 130729612) has the molecular formula C7H15N3O3S and a molecular weight of 221.28 g/mol. Its IUPAC name is 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide.

Molecular Properties

Compound Name2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide
PubChem CID130729612
Molecular FormulaC7H15N3O3S
Molecular Weight221.28 g/mol
Exact Mass221.08
IUPAC Name2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide
SMILESCC1(C(=O)NN)CCCN1S(C)(=O)=O
InChIInChI=1S/C7H15N3O3S/c1-7(6(11)9-8)4-3-5-10(7)14(2,12)13/h3-5,8H2,1-2H3,(H,9,11)
InChIKeyRCAPXOBXFRDLJU-UHFFFAOYSA-N
XLogP-1.21
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 5-1.21
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

2-iodo-2-methyl-1-methylsulfonylpyrrolidine
CID 126631454
2-methyl-1-(methylsulfonylmethylsulfonyl)pyrrolidine-2-carboxylic acid
CID 82838547
1-(azepan-1-ylsulfonyl)-2-methylpiperidine-2-carboxylic acid
CID 104595620
1-(1-methylsulfonyl-1,9-diazaspiro[4.5]decan-9-yl)ethanone
CID 131662776
1-(methoxycarbonylsulfamoyl)-2-methylpiperidine-2-carboxylic acid
CID 114463047
(2S)-2-(5-methylsulfonyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 139379643
(2R)-1-acetyl-N,2-dimethylpyrrolidine-2-carboxamide
CID 131850595
3-methylpiperidine-3-carbohydrazide
CID 63991806
2-methyl-1-(propylsulfamoyl)piperidine-2-carboxylic acid
CID 114807086
(4S)-2-methyl-5-methylsulfonyl-2,5-diazaspiro[3.4]octan-3-one
CID 134396434
4-hydroxy-4-methylazepane-1-carbohydrazide
CID 107405919
N,6-dimethyl-2-[(2R)-2-methyl-1-methylsulfonylpyrrolidin-2-yl]pyrimidine-4-carboxamide
CID 95848174

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide?
The IUPAC name of 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide (CID 130729612) is 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide.
What is the SMILES notation for 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide?
The canonical SMILES for 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide is CC1(C(=O)NN)CCCN1S(C)(=O)=O.
What is the InChIKey of 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide?
The InChIKey is RCAPXOBXFRDLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O3S/c1-7(6(11)9-8)4-3-5-10(7)14(2,12)13/h3-5,8H2,1-2H3,(H,9,11).
What are the key properties of 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide?
2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide has a molecular weight of 221.28 g/mol, XLogP of -1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-methylsulfonylpyrrolidine-2-carbohydrazide is sourced from PubChem (CID 130729612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).