4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol

C11H23NO2S — CID 115711535

IUPAC4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
SMILESCSCCC(CO)NCC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-15-7-4-11(9-13)12-8-10-2-5-14-6-3-10/h10-13H,2-9H2,1H3
InChIKeyOSXNBLALXJKRHH-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.12
Rot. Bonds7

About 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol

4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol (PubChem CID 115711535) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
PubChem CID115711535
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
SMILESCSCCC(CO)NCC1CCOCC1
InChIInChI=1S/C11H23NO2S/c1-15-7-4-11(9-13)12-8-10-2-5-14-6-3-10/h10-13H,2-9H2,1H3
InChIKeyOSXNBLALXJKRHH-UHFFFAOYSA-N
XLogP1.12
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
CID 94422130
4-methylsulfanyl-N-(oxolan-3-ylmethyl)butan-2-amine
CID 115887609
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
CID 115894360
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
9-(oxan-4-ylmethylamino)heptadecanedioic acid
CID 175577574
5-methylsulfanyl-1-(oxan-4-yl)pentan-2-ol
CID 103090029
(2R)-2-(oxan-3-ylmethylamino)butan-1-ol
CID 103924305
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62385670
methyl 2-(oxan-4-ylmethylamino)propanoate
CID 62385686
1-[(2S)-1-methylsulfanylbutan-2-yl]-3-(oxan-4-ylmethyl)urea
CID 124615314
4-(oxan-4-ylmethoxy)-3-(propylamino)butan-1-ol
CID 64900179

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol?
The IUPAC name of 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol (CID 115711535) is 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol is CSCCC(CO)NCC1CCOCC1.
What is the InChIKey of 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol?
The InChIKey is OSXNBLALXJKRHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-15-7-4-11(9-13)12-8-10-2-5-14-6-3-10/h10-13H,2-9H2,1H3.
What are the key properties of 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol?
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol has a molecular weight of 233.38 g/mol, XLogP of 1.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol is sourced from PubChem (CID 115711535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).