N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C8H14N4O3S — CID 114760112

IUPACN-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c13-8(1-2-9-5-8)6-12-16(14,15)7-3-10-11-4-7/h3-4,9,12-13H,1-2,5-6H2,(H,10,11)
InChIKeyPLMXTIYEPWYJTJ-UHFFFAOYSA-N
MW246.29 g/mol
LogP-1.59
Rot. Bonds4

About N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide

N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 114760112) has the molecular formula C8H14N4O3S and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID114760112
Molecular FormulaC8H14N4O3S
Molecular Weight246.29 g/mol
Exact Mass246.08
IUPAC NameN-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESO=S(=O)(NCC1(O)CCNC1)c1cn[nH]c1
InChIInChI=1S/C8H14N4O3S/c13-8(1-2-9-5-8)6-12-16(14,15)7-3-10-11-4-7/h3-4,9,12-13H,1-2,5-6H2,(H,10,11)
InChIKeyPLMXTIYEPWYJTJ-UHFFFAOYSA-N
XLogP-1.59
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(3-hydroxypyrrolidin-3-yl)methylsulfamoyl]phenyl]acetamide
CID 114760106
N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440803
N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-1H-pyrazole-4-sulfonamide
CID 131924506
N-[(3-hydroxypiperidin-3-yl)methyl]-1-propylpyrazole-4-sulfonamide
CID 122564480
3,4-difluoro-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125440671
3-chloro-N-[[(3S)-3-hydroxypiperidin-3-yl]methyl]benzenesulfonamide
CID 125443896
N-[(4-hydroxycyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
CID 106126673
3-(azepane-1-carbonyl)-N-[[(3S)-3-hydroxypyrrolidin-3-yl]methyl]benzenesulfonamide
CID 97201837
N-(1-methylcyclopentyl)-1H-pyrazole-4-sulfonamide
CID 47377357
N-(3-morpholin-4-yl-3-oxopropyl)-1H-pyrazole-4-sulfonamide
CID 47372172
1-(1H-pyrazol-4-ylsulfonylamino)cyclooctane-1-carbothioamide
CID 61123573
N-(2-chloropropyl)-1H-pyrazole-4-sulfonamide
CID 65033570

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 114760112) is N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is O=S(=O)(NCC1(O)CCNC1)c1cn[nH]c1.
What is the InChIKey of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PLMXTIYEPWYJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O3S/c13-8(1-2-9-5-8)6-12-16(14,15)7-3-10-11-4-7/h3-4,9,12-13H,1-2,5-6H2,(H,10,11).
What are the key properties of N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 246.29 g/mol, XLogP of -1.59, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxypyrrolidin-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 114760112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).