[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol

C8H13N3O4S — CID 102693223

IUPAC[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol
SMILESO=S(=O)(c1ccn[nH]1)N1CCOC(CO)C1
InChIInChI=1S/C8H13N3O4S/c12-6-7-5-11(3-4-15-7)16(13,14)8-1-2-9-10-8/h1-2,7,12H,3-6H2,(H,9,10)
InChIKeyXMNOIJQKSXGKLC-UHFFFAOYSA-N
MW247.28 g/mol
LogP-1.21
Rot. Bonds3

About [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol

[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol (PubChem CID 102693223) has the molecular formula C8H13N3O4S and a molecular weight of 247.28 g/mol. Its IUPAC name is [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol
PubChem CID102693223
Molecular FormulaC8H13N3O4S
Molecular Weight247.28 g/mol
Exact Mass247.06
IUPAC Name[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol
SMILESO=S(=O)(c1ccn[nH]1)N1CCOC(CO)C1
InChIInChI=1S/C8H13N3O4S/c12-6-7-5-11(3-4-15-7)16(13,14)8-1-2-9-10-8/h1-2,7,12H,3-6H2,(H,9,10)
InChIKeyXMNOIJQKSXGKLC-UHFFFAOYSA-N
XLogP-1.21
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 5-1.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(bromomethyl)-4-(1H-pyrazol-5-ylsulfonyl)morpholine
CID 102694002
[4-[(3-amino-2-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 103306629
[4-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]morpholin-2-yl]methanol
CID 81208839
[4-[[3-(methylamino)-2-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 103306627
3-[2-(hydroxymethyl)morpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 81208935
[2-(hydroxymethyl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 81208376
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
[4-[[2-(methylamino)-3-pyridinyl]sulfonyl]morpholin-2-yl]methanol
CID 81213010
[4-(2,3-dihydro-1H-indol-6-ylsulfonyl)morpholin-2-yl]methanol
CID 81205308
[4-(2,4-dibromophenyl)sulfonylmorpholin-2-yl]methanol
CID 81219809
[4-[5-(aminomethyl)thiophen-2-yl]sulfonylmorpholin-2-yl]methanol
CID 81204690
[4-[(5-bromo-3-pyridinyl)sulfonyl]morpholin-2-yl]methanol
CID 81218928

Frequently Asked Questions

What is the IUPAC name of [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol?
The IUPAC name of [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol (CID 102693223) is [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol.
What is the SMILES notation for [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol?
The canonical SMILES for [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol is O=S(=O)(c1ccn[nH]1)N1CCOC(CO)C1.
What is the InChIKey of [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol?
The InChIKey is XMNOIJQKSXGKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4S/c12-6-7-5-11(3-4-15-7)16(13,14)8-1-2-9-10-8/h1-2,7,12H,3-6H2,(H,9,10).
What are the key properties of [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol?
[4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol has a molecular weight of 247.28 g/mol, XLogP of -1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-pyrazol-5-ylsulfonyl)morpholin-2-yl]methanol is sourced from PubChem (CID 102693223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).