1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

C11H20N4O4S2 — CID 71806786

IUPAC1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C11H20N4O4S2/c1-14-9-11(8-12-14)21(18,19)13-7-10-3-5-15(6-4-10)20(2,16)17/h8-10,13H,3-7H2,1-2H3
InChIKeyAXRWCLGPMVCYMM-UHFFFAOYSA-N
MW336.44 g/mol
LogP-0.63
Rot. Bonds5

About 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide

1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (PubChem CID 71806786) has the molecular formula C11H20N4O4S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
PubChem CID71806786
Molecular FormulaC11H20N4O4S2
Molecular Weight336.44 g/mol
Exact Mass336.09
IUPAC Name1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C11H20N4O4S2/c1-14-9-11(8-12-14)21(18,19)13-7-10-3-5-15(6-4-10)20(2,16)17/h8-10,13H,3-7H2,1-2H3
InChIKeyAXRWCLGPMVCYMM-UHFFFAOYSA-N
XLogP-0.63
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-[1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methanamine
CID 55167900
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylpyrazole-4-sulfonamide
CID 51080618
1-(1-methylpyrazol-4-yl)sulfonyl-4-methylsulfonyl-1,4-diazepane
CID 47206241
1-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrazole-4-sulfonamide
CID 47034943
N-(cyclobutylmethyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 114138246
N-(2-amino-2-cyclopropylethyl)-1-methylpyrazole-4-sulfonamide
CID 63765093
N-methyl-2-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 120718316
N-(2-chloroethyl)-1-methylpyrazole-4-sulfonamide
CID 62062630
2-amino-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-5-sulfonamide
CID 55043468
N-(2-cyclopropyl-2-hydroxyethyl)-1-methylpyrazole-4-sulfonamide
CID 63298486
N-(cyclohexylmethyl)-1-[2-(ethylamino)ethyl]pyrazole-4-sulfonamide
CID 106027786
1-(2-aminoethyl)-N-(cyclohexylmethyl)pyrazole-4-sulfonamide
CID 106027732

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide (CID 71806786) is 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)NCC2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
The InChIKey is AXRWCLGPMVCYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O4S2/c1-14-9-11(8-12-14)21(18,19)13-7-10-3-5-15(6-4-10)20(2,16)17/h8-10,13H,3-7H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide?
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide has a molecular weight of 336.44 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 71806786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).