[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol

C10H21NO4S — CID 114286866

IUPAC[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9-8-15-10(7-12)6-11(9)4-3-5-16(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyZGCJWQSNVLACQX-UHFFFAOYSA-N
MW251.35 g/mol
LogP-0.50
Rot. Bonds5

About [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol

[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol (PubChem CID 114286866) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol
PubChem CID114286866
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1CCCS(C)(=O)=O
InChIInChI=1S/C10H21NO4S/c1-9-8-15-10(7-12)6-11(9)4-3-5-16(2,13)14/h9-10,12H,3-8H2,1-2H3
InChIKeyZGCJWQSNVLACQX-UHFFFAOYSA-N
XLogP-0.50
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[4-(3-azidopropyl)-5-methylmorpholin-2-yl]methanol
CID 81219212
[4-(5-amino-4,4-dimethylpentyl)-5-methylmorpholin-2-yl]methanol
CID 81203343
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-one
CID 81204259
[5-methyl-4-(3-methylbut-2-enyl)morpholin-2-yl]methanol
CID 81218750
[(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
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-2-one
CID 81204330
[4-(3-methoxy-3-methylbutyl)-5-methylmorpholin-2-yl]methanol
CID 102977802
(2R)-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-2-ol
CID 106932860
5-[2-(aminomethyl)-5-methylmorpholin-4-yl]pentan-1-ol
CID 81217514

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol (CID 114286866) is [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol is CC1COC(CO)CN1CCCS(C)(=O)=O.
What is the InChIKey of [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol?
The InChIKey is ZGCJWQSNVLACQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-9-8-15-10(7-12)6-11(9)4-3-5-16(2,13)14/h9-10,12H,3-8H2,1-2H3.
What are the key properties of [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol?
[5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol has a molecular weight of 251.35 g/mol, XLogP of -0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(3-methylsulfonylpropyl)morpholin-2-yl]methanol is sourced from PubChem (CID 114286866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).