4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol

C11H23NO2S — CID 102672202

IUPAC4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCSC1C
InChIInChI=1S/C11H23NO2S/c1-9-10(4-7-15-9)12-8-11(2,13)5-6-14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyMKTOTRSWDTZRSM-UHFFFAOYSA-N
MW233.38 g/mol
LogP1.26
Rot. Bonds6

About 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol

4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol (PubChem CID 102672202) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol.

Molecular Properties

Compound Name4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
PubChem CID102672202
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol
SMILESCOCCC(C)(O)CNC1CCSC1C
InChIInChI=1S/C11H23NO2S/c1-9-10(4-7-15-9)12-8-11(2,13)5-6-14-3/h9-10,12-13H,4-8H2,1-3H3
InChIKeyMKTOTRSWDTZRSM-UHFFFAOYSA-N
XLogP1.26
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1R,2R)-2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]cyclohexan-1-ol
CID 106255147
4-methoxy-2-methyl-1-[(3-methylcyclopentyl)amino]butan-2-ol
CID 103699568
1-[(1,1-dioxothian-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249315
4-methoxy-2-methyl-1-[(3-methylcyclohexyl)amino]butan-2-ol
CID 103699567
4-methoxy-2-methyl-1-[(4-methylcycloheptyl)amino]butan-2-ol
CID 106249580
1-(2-adamantylamino)-4-methoxy-2-methylbutan-2-ol
CID 103784145
4-methoxy-2-methyl-1-(thiolan-3-ylmethylamino)butan-2-ol
CID 107166358
1-(cyclohex-2-en-1-ylamino)-4-methoxy-2-methylbutan-2-ol
CID 106255210
4-methoxy-2-methyl-1-[[1-(2-methylpropyl)piperidin-4-yl]amino]butan-2-ol
CID 103784160
4-methoxy-2-methyl-1-[[3-(trifluoromethyl)cyclohexyl]amino]butan-2-ol
CID 102609647
2-methyl-N-(3-methylbut-2-enyl)thiolan-3-amine
CID 103529246
1-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-methoxy-2-methylbutan-2-ol
CID 106249730

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol?
The IUPAC name of 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol (CID 102672202) is 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol.
What is the SMILES notation for 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol?
The canonical SMILES for 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol is COCCC(C)(O)CNC1CCSC1C.
What is the InChIKey of 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol?
The InChIKey is MKTOTRSWDTZRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-9-10(4-7-15-9)12-8-11(2,13)5-6-14-3/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol?
4-methoxy-2-methyl-1-[(2-methylthiolan-3-yl)amino]butan-2-ol has a molecular weight of 233.38 g/mol, XLogP of 1.26, 6 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-[(2-methylthiolan-3-yl)amino]butan-2-ol is sourced from PubChem (CID 102672202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).