[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

C12H19N3O4S — CID 102933332

IUPAC[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccccc2NN)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-9-6-15(7-10(8-16)19-9)20(17,18)12-5-3-2-4-11(12)14-13/h2-5,9-10,14,16H,6-8,13H2,1H3
InChIKeyIAIOMCVJIYSVQC-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.26
Rot. Bonds4

About [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol

[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (PubChem CID 102933332) has the molecular formula C12H19N3O4S and a molecular weight of 301.37 g/mol. Its IUPAC name is [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
PubChem CID102933332
Molecular FormulaC12H19N3O4S
Molecular Weight301.37 g/mol
Exact Mass301.11
IUPAC Name[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(S(=O)(=O)c2ccccc2NN)CC(CO)O1
InChIInChI=1S/C12H19N3O4S/c1-9-6-15(7-10(8-16)19-9)20(17,18)12-5-3-2-4-11(12)14-13/h2-5,9-10,14,16H,6-8,13H2,1H3
InChIKeyIAIOMCVJIYSVQC-UHFFFAOYSA-N
XLogP-0.26
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934895
[4-(2-amino-4,5-dimethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931863
[4-(4-amino-2-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931874
[4-(2-amino-5-chlorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931866
[4-(2,6-difluorophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934845
[4-(3-aminophenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931873
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonyl-1H-pyridin-4-one
CID 102934020
2-benzyl-6-methyl-4-(2-methylphenyl)sulfonylmorpholine
CID 110644243
[4-(4-amino-2-methoxyphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102931832
[4-(4-ethylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol
CID 102934850
3-chloro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932852
4-chloro-3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]sulfonylbenzonitrile
CID 102932848

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol (CID 102933332) is [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is CC1CN(S(=O)(=O)c2ccccc2NN)CC(CO)O1.
What is the InChIKey of [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
The InChIKey is IAIOMCVJIYSVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4S/c1-9-6-15(7-10(8-16)19-9)20(17,18)12-5-3-2-4-11(12)14-13/h2-5,9-10,14,16H,6-8,13H2,1H3.
What are the key properties of [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol?
[4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol has a molecular weight of 301.37 g/mol, XLogP of -0.26, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydrazinylphenyl)sulfonyl-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102933332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).