5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

C10H18N4O2S — CID 60912089

IUPAC5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C10H18N4O2S/c1-8-10(7-12-14-8)17(15,16)13-6-9-3-2-4-11-5-9/h7,9,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYSGRRZMANAJDNY-UHFFFAOYSA-N
MW258.35 g/mol
LogP-0.00
Rot. Bonds4

About 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide

5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60912089) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60912089
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCNC1
InChIInChI=1S/C10H18N4O2S/c1-8-10(7-12-14-8)17(15,16)13-6-9-3-2-4-11-5-9/h7,9,11,13H,2-6H2,1H3,(H,12,14)
InChIKeyYSGRRZMANAJDNY-UHFFFAOYSA-N
XLogP-0.00
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-piperidin-3-ylethyl)-1H-pyrazole-4-sulfonamide
CID 54930098
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
N-[(3-aminocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114146770
N-(2-cyclopentylethyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 54932976
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 66006522
N-[[2-(bromomethyl)cyclohexyl]methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114295432
N-[(2-bromocyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 113271773
2-bromo-3-methyl-N-(piperidin-3-ylmethyl)benzenesulfonamide
CID 119968293
4-methylsulfonyl-N-(piperidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 119968466
N-[[(3S)-piperidin-3-yl]methyl]pyrimidine-2-sulfonamide
CID 97166084
5-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]-1H-pyrazole-4-sulfonamide
CID 79350868
6-methyl-N-(piperidin-3-ylmethyl)-1,3-benzodioxole-5-sulfonamide;hydrochloride
CID 120874714

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide (CID 60912089) is 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1CCCNC1.
What is the InChIKey of 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is YSGRRZMANAJDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-8-10(7-12-14-8)17(15,16)13-6-9-3-2-4-11-5-9/h7,9,11,13H,2-6H2,1H3,(H,12,14).
What are the key properties of 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide?
5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 258.35 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(piperidin-3-ylmethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60912089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).