1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol

C10H23NO2S — CID 115752194

IUPAC1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)C(C)CCSC
InChIInChI=1S/C10H23NO2S/c1-9(5-6-14-4)11(2)7-10(12)8-13-3/h9-10,12H,5-8H2,1-4H3
InChIKeyBLZBEQDKXUDMQS-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.07
Rot. Bonds8

About 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol

1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol (PubChem CID 115752194) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
PubChem CID115752194
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
SMILESCOCC(O)CN(C)C(C)CCSC
InChIInChI=1S/C10H23NO2S/c1-9(5-6-14-4)11(2)7-10(12)8-13-3/h9-10,12H,5-8H2,1-4H3
InChIKeyBLZBEQDKXUDMQS-UHFFFAOYSA-N
XLogP1.07
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[1-methoxypropan-2-yl(methyl)amino]propan-2-ol
CID 103935012
methyl 3-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-methylbutanoate
CID 79406690
2-methyl-1-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol
CID 115773348
1-(1-methoxypropan-2-yloxy)-3-[methyl(3-methylbutan-2-yl)amino]propan-2-ol
CID 106991752
2-[(2-hydroxy-3-methoxypropyl)-methylamino]-3-methoxypropanoic acid
CID 103224662
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
1-amino-3-[methyl(1-methylsulfanylpropan-2-yl)amino]propan-2-ol
CID 112658794
N'-hydroxy-2-[methyl(4-methylsulfanylbutan-2-yl)amino]ethanimidamide
CID 104876505
1-methoxy-5-methyloctan-2-ol
CID 62320776
1-ethoxy-4-methylsulfanylbutan-2-ol
CID 79566710
1-(methylamino)-3-[methyl(pentan-2-yl)amino]propan-2-ol
CID 43571982
3-(3-methoxypropyl)-1-methyl-1-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635674

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol (CID 115752194) is 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol is COCC(O)CN(C)C(C)CCSC.
What is the InChIKey of 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
The InChIKey is BLZBEQDKXUDMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(5-6-14-4)11(2)7-10(12)8-13-3/h9-10,12H,5-8H2,1-4H3.
What are the key properties of 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol?
1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol has a molecular weight of 221.37 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl(4-methylsulfanylbutan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 115752194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).