(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol

C11H23NO4S — CID 114779112

IUPAC(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
SMILESCCCCS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H23NO4S/c1-4-5-6-17(14,15)12-7-10(8-13)16-11(2,3)9-12/h10,13H,4-9H2,1-3H3
InChIKeyXHCWDKVXHPIAIS-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.59
Rot. Bonds5

About (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol

(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol (PubChem CID 114779112) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
PubChem CID114779112
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol
SMILESCCCCS(=O)(=O)N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C11H23NO4S/c1-4-5-6-17(14,15)12-7-10(8-13)16-11(2,3)9-12/h10,13H,4-9H2,1-3H3
InChIKeyXHCWDKVXHPIAIS-UHFFFAOYSA-N
XLogP0.59
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(((2R,6S)-2,6-dimethylmorpholin-4-yl)sulfonyl)ethan-1-ol
CID 104959533
(6R)-4-(2-ethoxyethylsulfonyl)-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 164641913
[4-(4,4,4-Trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 83058519
[5-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 83058648
[6-Methyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 102934925
[6,6-Dimethyl-4-(trifluoromethylsulfonyl)morpholin-2-yl]methanol
CID 113632378
[6,6-Dimethyl-4-(4,4,4-trifluorobutylsulfonyl)morpholin-2-yl]methanol
CID 114779137
[4-(Difluoromethylsulfonyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779163
(4-Propan-2-ylsulfonylmorpholin-2-yl)methanol
CID 81219014
N-ethyl-N-[(2S)-3-hydroxy-2-propan-2-yloxypropyl]methanesulfonamide
CID 88991579
N-ethyl-N-(3-hydroxy-2-propan-2-yloxypropyl)methanesulfonamide
CID 88991611
N-[3-hydroxy-2-(3-methylbutan-2-yloxy)propyl]-N-propylmethanesulfonamide
CID 89118454

Frequently Asked Questions

What is the IUPAC name of (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol?
The IUPAC name of (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol (CID 114779112) is (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol.
What is the SMILES notation for (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol?
The canonical SMILES for (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol is CCCCS(=O)(=O)N1CC(CO)OC(C)(C)C1.
What is the InChIKey of (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol?
The InChIKey is XHCWDKVXHPIAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-4-5-6-17(14,15)12-7-10(8-13)16-11(2,3)9-12/h10,13H,4-9H2,1-3H3.
What are the key properties of (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol?
(4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol has a molecular weight of 265.37 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylsulfonyl-6,6-dimethylmorpholin-2-yl)methanol is sourced from PubChem (CID 114779112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).