methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride

C9H20ClN3O3S — CID 139022590

IUPACmethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride
SMILESCl.[H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H19N3O3S.ClH/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3;/h8,10H,4-7H2,1-3H3;1H
InChIKeyRTFLLJUYYPCIKZ-UHFFFAOYSA-N
MW285.80 g/mol
LogP0.73
Rot. Bonds3

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

methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 139022590) has the molecular formula C9H20ClN3O3S and a molecular weight of 285.80 g/mol. Its IUPAC name is methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride
PubChem CID139022590
Molecular FormulaC9H20ClN3O3S
Molecular Weight285.80 g/mol
Exact Mass285.09
IUPAC Namemethyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride
SMILESCl.[H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C9H19N3O3S.ClH/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3;/h8,10H,4-7H2,1-3H3;1H
InChIKeyRTFLLJUYYPCIKZ-UHFFFAOYSA-N
XLogP0.73
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 1-methylpiperidine-4-carboxylate
CID 11062856
Methyl 1-Methyl-4-piperidinecarboxylate
CID 3616844
Ethyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228198
Methyl 1-(chlorosulfonyl)piperidine-4-carboxylate
CID 16228361
Methyl 1-sulfamoylpiperidine-4-carboxylate
CID 25323924
N-Methylisonipecotic acid, ethyl ester, hydrochloride
CID 52991957
Methyl 1-(2-cyanoethyl)piperidine-4-carboxylate
CID 24707505
Methyl 1-(3-aminopropyl)piperidine-4-carboxylate dihydrochloride
CID 54592919
Methyl 1-(4-aminobutyl)piperidine-4-carboxylate dihydrochloride
CID 71756894
Methyl 1-cyanopiperidine-4-carboxylate
CID 104185241
Methyl 1-(imino(methyl)oxo-lambda6-sulfanyl)piperidine-4-carboxylate hydrochloride
CID 145874326
Ethyl 1-butylpiperidine-4-carboxylate
CID 9990801

Frequently Asked Questions

What is the IUPAC name of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride (CID 139022590) is methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride is Cl.[H]N=S(=O)(N(C)C)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is RTFLLJUYYPCIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O3S.ClH/c1-11(2)16(10,14)12-6-4-8(5-7-12)9(13)15-3;/h8,10H,4-7H2,1-3H3;1H.
What are the key properties of methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride?
methyl 1-(dimethylaminosulfonimidoyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 0.73, 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;hydrochloride is sourced from PubChem (CID 139022590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).