4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol

C12H25NO4S — CID 79669633

IUPAC4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
SMILESCCCN1CCOC(C(O)CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-3-6-13-7-8-17-12(10-13)11(14)5-4-9-18(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeySIIWJDLCRBDZKY-UHFFFAOYSA-N
MW279.40 g/mol
LogP0.28
Rot. Bonds7

About 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol

4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol (PubChem CID 79669633) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
PubChem CID79669633
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol
SMILESCCCN1CCOC(C(O)CCCS(C)(=O)=O)C1
InChIInChI=1S/C12H25NO4S/c1-3-6-13-7-8-17-12(10-13)11(14)5-4-9-18(2,15)16/h11-12,14H,3-10H2,1-2H3
InChIKeySIIWJDLCRBDZKY-UHFFFAOYSA-N
XLogP0.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-propylmorpholin-2-yl)pentan-1-ol
CID 79668705
1-(4-methylmorpholin-2-yl)-4-methylsulfonylbutan-1-ol
CID 79087192
1-(4-propylmorpholin-2-yl)hexan-1-ol
CID 79669554
1-(4-propylmorpholin-2-yl)undecan-1-ol
CID 79663521
3-ethyl-1-(4-propylmorpholin-2-yl)heptan-1-ol
CID 79657527
2-propan-2-yl-4-propylmorpholine
CID 58468712
4-methylsulfonyl-1-(1,4-oxathian-2-yl)butan-1-ol
CID 79963686
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
1-(4-propylmorpholin-2-yl)ethanamine
CID 79658084
1-(4-methylmorpholin-2-yl)-4-methylsulfonyl-N-propylbutan-1-amine
CID 79092505
2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetic acid
CID 66434056
(2,3-dimethylphenyl)-(4-propylmorpholin-2-yl)methanol
CID 79669238

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The IUPAC name of 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol (CID 79669633) is 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol.
What is the SMILES notation for 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The canonical SMILES for 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol is CCCN1CCOC(C(O)CCCS(C)(=O)=O)C1.
What is the InChIKey of 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
The InChIKey is SIIWJDLCRBDZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO4S/c1-3-6-13-7-8-17-12(10-13)11(14)5-4-9-18(2,15)16/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol?
4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol has a molecular weight of 279.40 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonyl-1-(4-propylmorpholin-2-yl)butan-1-ol is sourced from PubChem (CID 79669633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).