methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate

C12H20N4O4S — CID 71806813

IUPACmethyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O4S/c1-15-9-11(8-13-15)21(18,19)14-7-10-3-5-16(6-4-10)12(17)20-2/h8-10,14H,3-7H2,1-2H3
InChIKeyJGLPWQZAIRFVBZ-UHFFFAOYSA-N
MW316.38 g/mol
LogP0.18
Rot. Bonds4

About methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate

methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate (PubChem CID 71806813) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
PubChem CID71806813
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC Namemethyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C12H20N4O4S/c1-15-9-11(8-13-15)21(18,19)14-7-10-3-5-16(6-4-10)12(17)20-2/h8-10,14H,3-7H2,1-2H3
InChIKeyJGLPWQZAIRFVBZ-UHFFFAOYSA-N
XLogP0.18
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-amine
CID 25247408
N-(tert-butyl)-4-((1-methyl-1H-pyrazole-4-sulfonamido)methyl)piperidine-1-carboxamide
CID 71806773
N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)-1-methyl-1H-pyrazole-4-sulfonamide
CID 71806875
N-[[(3S,4R)-3-(dimethylamino)-1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 91920924
4-{1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921407
5-{1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]piperidine-4-carbonyl}-1,5-diazacycloundecan-2-one
CID 110201741
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-1-methylpyrazole-4-sulfonamide
CID 164634403
1-((1-Methyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-amine
CID 25247404
tert-butyl N-[(3R,4R)-3-fluoro-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]carbamate
CID 164581807
tert-butyl N-[(3R,4S)-3-fluoro-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]carbamate
CID 176655639
tert-butyl N-[(3S,4R)-3-fluoro-1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]carbamate
CID 177300442
1-[1-[1-(2,2,2-Trifluoroethyl)pyrazol-4-yl]sulfonylpiperidin-4-yl]ethanamine
CID 120709082

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate (CID 71806813) is methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CNS(=O)(=O)c2cnn(C)c2)CC1.
What is the InChIKey of methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
The InChIKey is JGLPWQZAIRFVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-15-9-11(8-13-15)21(18,19)14-7-10-3-5-16(6-4-10)12(17)20-2/h8-10,14H,3-7H2,1-2H3.
What are the key properties of methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate?
methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate has a molecular weight of 316.38 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(1-methylpyrazol-4-yl)sulfonylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 71806813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).