N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline

C11H17NOS — CID 62534680

IUPACN-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
SMILESCOCC(C)Nc1cccc(SC)c1
InChIInChI=1S/C11H17NOS/c1-9(8-13-2)12-10-5-4-6-11(7-10)14-3/h4-7,9,12H,8H2,1-3H3
InChIKeyXJTOFQGBLXBHDI-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.86
Rot. Bonds5

About N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline

N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline (PubChem CID 62534680) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
PubChem CID62534680
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC NameN-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
SMILESCOCC(C)Nc1cccc(SC)c1
InChIInChI=1S/C11H17NOS/c1-9(8-13-2)12-10-5-4-6-11(7-10)14-3/h4-7,9,12H,8H2,1-3H3
InChIKeyXJTOFQGBLXBHDI-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
5-methoxy-4-N-(3-methylsulfanylphenyl)pentane-1,4-diamine
CID 103387005
3-(methoxymethyl)-N-(1-methoxypropan-2-yl)aniline
CID 62534298
3-methylsulfanyl-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64630917
1-methoxy-3-(3-methylsulfanylanilino)propan-2-ol
CID 63928358
methyl 3-(1-methoxypropan-2-ylamino)benzoate
CID 62536226
3-(2-fluoroethoxy)-N-(1-methoxypropan-2-yl)aniline
CID 115695260
N-[1-(2,6-difluorophenyl)ethyl]-3-methylsulfanylaniline
CID 43191040
2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
3-N-[2-(dimethylamino)ethyl]-1-N-(1-methoxypropan-2-yl)-3-N-methylbenzene-1,3-diamine
CID 173013272
3-(3-methylsulfanylanilino)pentanenitrile
CID 43175083
3-methylsulfanyl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541794

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline?
The IUPAC name of N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline (CID 62534680) is N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline?
The canonical SMILES for N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline is COCC(C)Nc1cccc(SC)c1.
What is the InChIKey of N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline?
The InChIKey is XJTOFQGBLXBHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(8-13-2)12-10-5-4-6-11(7-10)14-3/h4-7,9,12H,8H2,1-3H3.
What are the key properties of N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline?
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline has a molecular weight of 211.33 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline is sourced from PubChem (CID 62534680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).