N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide

C11H20N4O2S — CID 54972682

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)15-18(16,17)7-10-4-3-5-12-6-10/h10,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyOTJMGRXLSFKOHC-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.77
Rot. Bonds4

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide (PubChem CID 54972682) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
PubChem CID54972682
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide
SMILESCc1n[nH]c(C)c1NS(=O)(=O)CC1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)15-18(16,17)7-10-4-3-5-12-6-10/h10,12,15H,3-7H2,1-2H3,(H,13,14)
InChIKeyOTJMGRXLSFKOHC-UHFFFAOYSA-N
XLogP0.77
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-1H-pyridazin-3-yl)-1-piperidin-3-ylmethanesulfonamide
CID 116787354
3,5-dimethyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 60895350
N-(3-fluoro-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 79050302
N-(3-bromo-5-methylphenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107584272
1-piperidin-3-yl-N-(thiatriazol-5-yl)methanesulfonamide
CID 114912971
N-(3,5-dimethyl-1H-pyrazol-4-yl)cyclohexanesulfonamide
CID 61064428
N-(1-methylsulfonylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 64641694
N-(2-cyclopropylpropan-2-yl)-1-piperidin-3-ylmethanesulfonamide
CID 114111424
1-piperidin-3-yl-N-(1-propan-2-ylpyrazol-4-yl)methanesulfonamide
CID 62902333
N-(5-chloro-2-pyridinyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972113
N-(cyclohexylmethyl)-1-piperidin-3-ylmethanesulfonamide
CID 54972626
N-(4-bromo-3-chlorophenyl)-1-piperidin-3-ylmethanesulfonamide
CID 107613659

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide (CID 54972682) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide is Cc1n[nH]c(C)c1NS(=O)(=O)CC1CCCNC1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide?
The InChIKey is OTJMGRXLSFKOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)14-13-8)15-18(16,17)7-10-4-3-5-12-6-10/h10,12,15H,3-7H2,1-2H3,(H,13,14).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-1-piperidin-3-ylmethanesulfonamide is sourced from PubChem (CID 54972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).