3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide

C9H16N4O3S — CID 114133715

IUPAC3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)N1CCCC(CO)C1
InChIInChI=1S/C9H16N4O3S/c14-7-8-2-1-3-13(6-8)17(15,16)12-9-4-10-11-5-9/h4-5,8,12,14H,1-3,6-7H2,(H,10,11)
InChIKeyMUIFGUFSJNFHHY-UHFFFAOYSA-N
MW260.32 g/mol
LogP-0.23
Rot. Bonds4

About 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide

3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide (PubChem CID 114133715) has the molecular formula C9H16N4O3S and a molecular weight of 260.32 g/mol. Its IUPAC name is 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide
PubChem CID114133715
Molecular FormulaC9H16N4O3S
Molecular Weight260.32 g/mol
Exact Mass260.09
IUPAC Name3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide
SMILESO=S(=O)(Nc1cn[nH]c1)N1CCCC(CO)C1
InChIInChI=1S/C9H16N4O3S/c14-7-8-2-1-3-13(6-8)17(15,16)12-9-4-10-11-5-9/h4-5,8,12,14H,1-3,6-7H2,(H,10,11)
InChIKeyMUIFGUFSJNFHHY-UHFFFAOYSA-N
XLogP-0.23
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016068
3-(aminomethyl)-N-(4-fluorophenyl)piperidine-1-sulfonamide
CID 106061692
[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanol
CID 62066251
[1-[(6-chloro-3-pyridinyl)sulfonyl]piperidin-3-yl]methanol
CID 43590367
N-(cyclopentylmethyl)-1H-pyrazol-4-amine
CID 62071556
methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61017743
(3R)-3-(1H-pyrazol-5-ylmethyl)-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 124972358
3-(hydroxymethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-sulfonamide
CID 106410338
[1-(4-chloro-1-methylpyrazol-5-yl)sulfonylpiperidin-3-yl]methanol
CID 114150451
methyl (3S)-1-(1H-pyrazol-4-ylsulfonyl)piperidine-3-carboxylate
CID 79032593
N-(1H-pyrazol-4-yl)-1-azabicyclo[3.3.1]nonan-4-amine
CID 112709119
[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methanol
CID 40544720

Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide?
The IUPAC name of 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide (CID 114133715) is 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide is O=S(=O)(Nc1cn[nH]c1)N1CCCC(CO)C1.
What is the InChIKey of 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide?
The InChIKey is MUIFGUFSJNFHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O3S/c14-7-8-2-1-3-13(6-8)17(15,16)12-9-4-10-11-5-9/h4-5,8,12,14H,1-3,6-7H2,(H,10,11).
What are the key properties of 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide?
3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide has a molecular weight of 260.32 g/mol, XLogP of -0.23, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 114133715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).