(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol

C9H19NO4S — CID 81219426

IUPAC(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
SMILESCC1COC(CO)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-7(2)15(12,13)10-4-9(5-11)14-6-8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyIQVBXRHGJWIIFR-UHFFFAOYSA-N
MW237.32 g/mol
LogP-0.19
Rot. Bonds3

About (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol

(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol (PubChem CID 81219426) has the molecular formula C9H19NO4S and a molecular weight of 237.32 g/mol. Its IUPAC name is (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol.

Molecular Properties

Compound Name(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
PubChem CID81219426
Molecular FormulaC9H19NO4S
Molecular Weight237.32 g/mol
Exact Mass237.10
IUPAC Name(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol
SMILESCC1COC(CO)CN1S(=O)(=O)C(C)C
InChIInChI=1S/C9H19NO4S/c1-7(2)15(12,13)10-4-9(5-11)14-6-8(10)3/h7-9,11H,4-6H2,1-3H3
InChIKeyIQVBXRHGJWIIFR-UHFFFAOYSA-N
XLogP-0.19
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]sulfonylacetic acid
CID 81202826
2-(hydroxymethyl)-5-methyl-N-propylmorpholine-4-sulfonamide
CID 114809725
[4-(difluoromethylsulfonyl)-5-methylmorpholin-2-yl]methanamine
CID 81216979
[4-(4-ethylphenyl)sulfonyl-5-methylmorpholin-2-yl]methanol
CID 81219341
[5-methyl-4-(4-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81219261
[5-methyl-4-(oxolan-2-ylmethylsulfonyl)morpholin-2-yl]methanol
CID 81218861
[(2S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290710
[(2R,5S)-4,5-dimethylmorpholin-2-yl]methanol
CID 155291691
[(2S,5R)-4,5-dimethylmorpholin-2-yl]methanol
CID 155290635
[5-methyl-4-(1-methylpyrazol-4-yl)sulfonylmorpholin-2-yl]methanol
CID 81219581
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820

Frequently Asked Questions

What is the IUPAC name of (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The IUPAC name of (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol (CID 81219426) is (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol.
What is the SMILES notation for (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The canonical SMILES for (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol is CC1COC(CO)CN1S(=O)(=O)C(C)C.
What is the InChIKey of (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
The InChIKey is IQVBXRHGJWIIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4S/c1-7(2)15(12,13)10-4-9(5-11)14-6-8(10)3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol?
(5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol has a molecular weight of 237.32 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-propan-2-ylsulfonylmorpholin-2-yl)methanol is sourced from PubChem (CID 81219426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).