1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine

C10H23NO2S — CID 115720755

IUPAC1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
SMILESCCCCC(COC)NCCS(C)=O
InChIInChI=1S/C10H23NO2S/c1-4-5-6-10(9-13-2)11-7-8-14(3)12/h10-11H,4-9H2,1-3H3
InChIKeyGPICVMOWBWFRQZ-UHFFFAOYSA-N
MW221.37 g/mol
LogP1.16
Rot. Bonds9

About 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine

1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine (PubChem CID 115720755) has the molecular formula C10H23NO2S and a molecular weight of 221.37 g/mol. Its IUPAC name is 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine.

Molecular Properties

Compound Name1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
PubChem CID115720755
Molecular FormulaC10H23NO2S
Molecular Weight221.37 g/mol
Exact Mass221.14
IUPAC Name1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine
SMILESCCCCC(COC)NCCS(C)=O
InChIInChI=1S/C10H23NO2S/c1-4-5-6-10(9-13-2)11-7-8-14(3)12/h10-11H,4-9H2,1-3H3
InChIKeyGPICVMOWBWFRQZ-UHFFFAOYSA-N
XLogP1.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
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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Related Compounds

N-(2-methylsulfinylethyl)heptan-3-amine
CID 115720826
1-methoxy-N-(4-methoxybutyl)hexan-2-amine
CID 115709746
1-methoxy-N-[2-(2-methoxyethoxy)ethyl]hexan-2-amine
CID 115712453
3-(1-methoxyhexan-2-ylamino)-N-methylpropanamide
CID 115712706
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
3-(1-methoxyhexan-2-ylamino)-N,N-dimethylpropanamide
CID 115715312
(2S)-1-methoxy-N-methylhexan-2-amine
CID 177242292
N-(2-cyclobutylethyl)-1-methoxyhexan-2-amine
CID 115893443
N-ethyl-1-methoxydecan-2-amine
CID 62320563
2-(1-methoxyhexan-2-ylamino)-N-methylacetamide
CID 115706822
1-methoxy-N-(4-methoxybutyl)pentan-2-amine
CID 104647445
1-methoxy-5-propan-2-ylsulfonyl-N-propylpentan-2-amine
CID 106727271

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine?
The IUPAC name of 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine (CID 115720755) is 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine.
What is the SMILES notation for 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine?
The canonical SMILES for 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine is CCCCC(COC)NCCS(C)=O.
What is the InChIKey of 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine?
The InChIKey is GPICVMOWBWFRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2S/c1-4-5-6-10(9-13-2)11-7-8-14(3)12/h10-11H,4-9H2,1-3H3.
What are the key properties of 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine?
1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine has a molecular weight of 221.37 g/mol, XLogP of 1.16, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-N-(2-methylsulfinylethyl)hexan-2-amine is sourced from PubChem (CID 115720755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).