[4-(4-methylsulfonylanilino)oxan-4-yl]methanol

C13H19NO4S — CID 106299965

IUPAC[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-11(3-5-12)14-13(10-15)6-8-18-9-7-13/h2-5,14-15H,6-10H2,1H3
InChIKeyJPFJNQUVBDKPRF-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.04
Rot. Bonds4

About [4-(4-methylsulfonylanilino)oxan-4-yl]methanol

[4-(4-methylsulfonylanilino)oxan-4-yl]methanol (PubChem CID 106299965) has the molecular formula C13H19NO4S and a molecular weight of 285.36 g/mol. Its IUPAC name is [4-(4-methylsulfonylanilino)oxan-4-yl]methanol.

Molecular Properties

Compound Name[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
PubChem CID106299965
Molecular FormulaC13H19NO4S
Molecular Weight285.36 g/mol
Exact Mass285.10
IUPAC Name[4-(4-methylsulfonylanilino)oxan-4-yl]methanol
SMILESCS(=O)(=O)c1ccc(NC2(CO)CCOCC2)cc1
InChIInChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-11(3-5-12)14-13(10-15)6-8-18-9-7-13/h2-5,14-15H,6-10H2,1H3
InChIKeyJPFJNQUVBDKPRF-UHFFFAOYSA-N
XLogP1.04
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(4-methylsulfonylanilino)cyclopentyl]methanol
CID 55082586
4-(4-methylsulfonylanilino)oxane-4-carboxylic acid
CID 78969434
1-[4-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 114170427
[4-(4-aminoanilino)oxan-4-yl]methanol
CID 106296805
2-[4-[(4-methylsulfonylbenzoyl)amino]oxan-4-yl]acetic acid
CID 119214917
[4-(4-methoxyanilino)oxepan-4-yl]methanol
CID 65080606
4-[[4-(chloromethyl)oxan-4-yl]amino]-N,N-dimethylbenzenesulfonamide
CID 106300134
N-[1-(aminomethyl)cyclohexyl]-4-methylsulfonylaniline
CID 55243938
1-[2-amino-5-[[4-(hydroxymethyl)oxan-4-yl]amino]phenyl]ethanone
CID 106296873
[1-(4-propylsulfonylanilino)cyclohexyl]methanol
CID 62520983
4-acetyl-N-[4-(hydroxymethyl)oxan-4-yl]benzenesulfonamide
CID 106299081
[4-(3-nitroanilino)oxan-4-yl]methanol
CID 114170363

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylsulfonylanilino)oxan-4-yl]methanol?
The IUPAC name of [4-(4-methylsulfonylanilino)oxan-4-yl]methanol (CID 106299965) is [4-(4-methylsulfonylanilino)oxan-4-yl]methanol.
What is the SMILES notation for [4-(4-methylsulfonylanilino)oxan-4-yl]methanol?
The canonical SMILES for [4-(4-methylsulfonylanilino)oxan-4-yl]methanol is CS(=O)(=O)c1ccc(NC2(CO)CCOCC2)cc1.
What is the InChIKey of [4-(4-methylsulfonylanilino)oxan-4-yl]methanol?
The InChIKey is JPFJNQUVBDKPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-19(16,17)12-4-2-11(3-5-12)14-13(10-15)6-8-18-9-7-13/h2-5,14-15H,6-10H2,1H3.
What are the key properties of [4-(4-methylsulfonylanilino)oxan-4-yl]methanol?
[4-(4-methylsulfonylanilino)oxan-4-yl]methanol has a molecular weight of 285.36 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylsulfonylanilino)oxan-4-yl]methanol is sourced from PubChem (CID 106299965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).