4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol

C11H23NO2S — CID 107166358

IUPAC4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
SMILESCOCCC(C)(O)CNCC1CCSC1
InChIInChI=1S/C11H23NO2S/c1-11(13,4-5-14-2)9-12-7-10-3-6-15-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyVPGGOCWWASESEF-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.12
Rot. Bonds7

About 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol

4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol (PubChem CID 107166358) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
PubChem CID107166358
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
SMILESCOCCC(C)(O)CNCC1CCSC1
InChIInChI=1S/C11H23NO2S/c1-11(13,4-5-14-2)9-12-7-10-3-6-15-8-10/h10,12-13H,3-9H2,1-2H3
InChIKeyVPGGOCWWASESEF-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

methyl 2,2-dimethyl-3-(thiolan-3-ylmethylamino)propanoate
CID 107167949
2,2-dimethyl-N-(thiolan-3-ylmethyl)propan-1-amine
CID 107131923
2-methyl-1-(thian-4-ylmethylamino)butan-2-ol
CID 114493697
1-(cyclohex-3-en-1-ylmethylamino)-4-methoxy-2-methylbutan-2-ol
CID 103838373
4-methoxy-2-methyl-1-[(4-methylmorpholin-2-yl)methylamino]butan-2-ol
CID 114164684
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
CID 102672202
1-cyclohexyl-N-(thiolan-3-ylmethyl)methanamine
CID 107131394
3-(2,2-dimethylpropyl)thiolane
CID 58797584
1-cyclopropyl-2-methoxy-N-(thiolan-3-ylmethyl)ethanamine
CID 107166673
methyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107131384
4-methoxy-2,2-dimethyl-N-(oxan-3-ylmethyl)butan-1-amine
CID 104625195
tert-butyl 3-(thiolan-3-ylmethylamino)propanoate
CID 107166442

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol (CID 107166358) is 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol is COCCC(C)(O)CNCC1CCSC1.
What is the InChIKey of 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol?
The InChIKey is VPGGOCWWASESEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(13,4-5-14-2)9-12-7-10-3-6-15-8-10/h10,12-13H,3-9H2,1-2H3.
What are the key properties of 4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol?
4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-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-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol is sourced from PubChem (CID 107166358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).