3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine

C9H21NO2S — CID 115896258

IUPAC3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCC(C)S(C)=O
InChIInChI=1S/C9H21NO2S/c1-7(13(5)11)6-10-8(2)9(3)12-4/h7-10H,6H2,1-5H3
InChIKeyCGQKCPFYQMUOIG-UHFFFAOYSA-N
MW207.34 g/mol
LogP0.77
Rot. Bonds6

About 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine

3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine (PubChem CID 115896258) has the molecular formula C9H21NO2S and a molecular weight of 207.34 g/mol. Its IUPAC name is 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine.

Molecular Properties

Compound Name3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
PubChem CID115896258
Molecular FormulaC9H21NO2S
Molecular Weight207.34 g/mol
Exact Mass207.13
IUPAC Name3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine
SMILESCOC(C)C(C)NCC(C)S(C)=O
InChIInChI=1S/C9H21NO2S/c1-7(13(5)11)6-10-8(2)9(3)12-4/h7-10H,6H2,1-5H3
InChIKeyCGQKCPFYQMUOIG-UHFFFAOYSA-N
XLogP0.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
CID 166556352
3-methoxy-N-(2-methylsulfinylethyl)butan-2-amine
CID 115720796
N-(3-methoxybutan-2-yl)-3-methyl-2-propan-2-ylbutan-1-amine
CID 102904336
N-(dicyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115896301
N-(2-cyclopropylpropyl)-3-methoxybutan-2-amine
CID 115713933
1-(3-methoxybutan-2-ylamino)pentan-2-ol
CID 115719384
3-ethyl-1-N-(3-methoxybutan-2-yl)-2-N,2-N-dimethylpentane-1,2-diamine
CID 115709020
N-(1-cyclopentylethyl)-2-methylsulfinylpropan-1-amine
CID 115896146
4-(4-methoxyphenyl)-N-(2-methylsulfinylpropyl)butan-2-amine
CID 115896171
N-(1,2-diphenylethyl)-2-methylsulfinylpropan-1-amine
CID 115896303
N-(cyclopropylmethyl)-2-methylsulfinylpropan-1-amine
CID 115764167
2-(3-methoxybutan-2-ylamino)-N-methylacetamide
CID 115706830

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine?
The IUPAC name of 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine (CID 115896258) is 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine.
What is the SMILES notation for 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine?
The canonical SMILES for 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine is COC(C)C(C)NCC(C)S(C)=O.
What is the InChIKey of 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine?
The InChIKey is CGQKCPFYQMUOIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2S/c1-7(13(5)11)6-10-8(2)9(3)12-4/h7-10H,6H2,1-5H3.
What are the key properties of 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine?
3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine has a molecular weight of 207.34 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methylsulfinylpropyl)butan-2-amine is sourced from PubChem (CID 115896258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).