methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate

C9H19N3O3S — CID 139022591

IUPACmethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate
SMILES[H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H19N3O3S/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3/h8,10H,4-7H2,1-3H3
InChIKeyJRDLBKXOOMORKN-UHFFFAOYSA-N
MW249.34 g/mol
LogP0.31
Rot. Bonds3

About methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate

methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate (PubChem CID 139022591) has the molecular formula C9H19N3O3S and a molecular weight of 249.34 g/mol. Its IUPAC name is methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate
PubChem CID139022591
Molecular FormulaC9H19N3O3S
Molecular Weight249.34 g/mol
Exact Mass249.11
IUPAC Namemethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate
SMILES[H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H19N3O3S/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3/h8,10H,4-7H2,1-3H3
InChIKeyJRDLBKXOOMORKN-UHFFFAOYSA-N
XLogP0.31
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Ethyl 1-aminopiperidine-4-carboxylate
CID 53273624
Ethyl 1-(cyanomethyl)piperidine-4-carboxylate
CID 20754608
Methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
CID 24707505
Methyl 1-(4-aminobutyl)piperidine-4-carboxylate dihydrochloride
CID 71756894
Methyl 1-cyanopiperidine-4-carboxylate
CID 104185241
methyl 1-(dimethyl-S-aminosulfonimidoyl)piperidine-4-carboxylate hydrochloride
CID 139022590
Methyl 1-(imino(methyl)oxo-lambda6-sulfanyl)piperidine-4-carboxylate hydrochloride
CID 145874326

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate (CID 139022591) is methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate is [H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate?
The InChIKey is JRDLBKXOOMORKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3/h8,10H,4-7H2,1-3H3.
What are the key properties of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate?
methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate has a molecular weight of 249.34 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate is sourced from PubChem (CID 139022591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).