4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol

C11H23NO2S — CID 115894360

IUPAC4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
SMILESCSCCC(CO)NC(C)C1CCOC1
InChIInChI=1S/C11H23NO2S/c1-9(10-3-5-14-8-10)12-11(7-13)4-6-15-2/h9-13H,3-8H2,1-2H3
InChIKeyYTSPSXJVHOVZQD-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.12
Rot. Bonds7

About 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol

4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol (PubChem CID 115894360) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
PubChem CID115894360
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol
SMILESCSCCC(CO)NC(C)C1CCOC1
InChIInChI=1S/C11H23NO2S/c1-9(10-3-5-14-8-10)12-11(7-13)4-6-15-2/h9-13H,3-8H2,1-2H3
InChIKeyYTSPSXJVHOVZQD-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

1-methylsulfanyl-N-[1-(oxolan-3-yl)ethyl]propan-2-amine
CID 115721709
4-methylsulfanyl-2-(oxan-4-ylamino)butan-1-ol
CID 115894377
N-[1-(oxolan-3-yl)ethyl]hexan-3-amine
CID 115888979
4-methylsulfanyl-2-(oxan-4-ylmethylamino)butan-1-ol
CID 115711535
1-(oxan-4-yl)-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115724018
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]ethanamine
CID 115677339
5-methyl-N-[1-(oxolan-3-yl)ethyl]heptan-3-amine
CID 115723984
N-[1-(oxolan-3-yl)ethyl]pent-4-yn-2-amine
CID 115725224
2-(cyclopropylamino)-4-methylsulfanylbutan-1-ol
CID 61053789
2-methyl-3-[1-(oxolan-3-yl)ethylamino]butan-2-ol
CID 115919249
1-cyclopropyl-N-[1-(oxolan-3-yl)ethyl]propan-1-amine
CID 115724005
1-[(2R)-1-methylsulfanylbutan-2-yl]-3-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]urea
CID 124856109

Frequently Asked Questions

What is the IUPAC name of 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol (CID 115894360) is 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol is CSCCC(CO)NC(C)C1CCOC1.
What is the InChIKey of 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol?
The InChIKey is YTSPSXJVHOVZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9(10-3-5-14-8-10)12-11(7-13)4-6-15-2/h9-13H,3-8H2,1-2H3.
What are the key properties of 4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]butan-1-ol?
4-methylsulfanyl-2-[1-(oxolan-3-yl)ethylamino]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-[1-(oxolan-3-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115894360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).