3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine

C10H23NO2S — CID 103033611

IUPAC3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine
SMILESCOC(C)(C)CCNC(C)CS(C)=O
InChIInChI=1S/C10H23NO2S/c1-9(8-14(5)12)11-7-6-10(2,3)13-4/h9,11H,6-8H2,1-5H3
InChIKeyKBLVVWNDKZGGGZ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.16
Rot. Bonds7

About 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine

3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine (PubChem CID 103033611) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine.

Molecular Properties

Compound Name3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine
PubChem CID103033611
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine
SMILESCOC(C)(C)CCNC(C)CS(C)=O
InChIInChI=1S/C10H23NO2S/c1-9(8-14(5)12)11-7-6-10(2,3)13-4/h9,11H,6-8H2,1-5H3
InChIKeyKBLVVWNDKZGGGZ-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.37
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine?
The IUPAC name of 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine (CID 103033611) is 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine.
What is the SMILES notation for 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine?
The canonical SMILES for 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine is COC(C)(C)CCNC(C)CS(C)=O.
What is the InChIKey of 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine?
The InChIKey is KBLVVWNDKZGGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-9(8-14(5)12)11-7-6-10(2,3)13-4/h9,11H,6-8H2,1-5H3.
What are the key properties of 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine?
3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine has a molecular weight of 221.37 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-methyl-N-(1-methylsulfinylpropan-2-yl)butan-1-amine is sourced from PubChem (CID 103033611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).