3-ethylsulfanyl-N-propan-2-ylaniline

C11H17NS — CID 115885090

IUPAC3-ethylsulfanyl-N-propan-2-ylaniline
SMILESCCSc1cccc(NC(C)C)c1
InChIInChI=1S/C11H17NS/c1-4-13-11-7-5-6-10(8-11)12-9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyWRLYPMXXUFHRAR-UHFFFAOYSA-N
MW195.33 g/mol
LogP3.62
Rot. Bonds4

About 3-ethylsulfanyl-N-propan-2-ylaniline

3-ethylsulfanyl-N-propan-2-ylaniline (PubChem CID 115885090) has the molecular formula C11H17NS and a molecular weight of 195.33 g/mol. Its IUPAC name is 3-ethylsulfanyl-N-propan-2-ylaniline.

Molecular Properties

Compound Name3-ethylsulfanyl-N-propan-2-ylaniline
PubChem CID115885090
Molecular FormulaC11H17NS
Molecular Weight195.33 g/mol
Exact Mass195.11
IUPAC Name3-ethylsulfanyl-N-propan-2-ylaniline
SMILESCCSc1cccc(NC(C)C)c1
InChIInChI=1S/C11H17NS/c1-4-13-11-7-5-6-10(8-11)12-9(2)3/h5-9,12H,4H2,1-3H3
InChIKeyWRLYPMXXUFHRAR-UHFFFAOYSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.33
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylsulfanylphenyl)methyl]propan-2-amine
CID 66349042
N-butan-2-yl-3-methylsulfanylaniline
CID 43191081
3-ethylsulfanyl-N-(furan-2-ylmethyl)aniline
CID 115744245
3-bromo-N-propan-2-ylaniline
CID 23291934
3-(aminomethyl)-N-propan-2-ylaniline
CID 47003536
N-(3-ethylsulfanylphenyl)thian-3-amine
CID 115885089
N-(1-methoxypropan-2-yl)-3-methylsulfanylaniline
CID 62534680
2-(4-ethylsulfanylphenyl)-2-(3-methylanilino)acetaldehyde
CID 145181341
2-(3-methylsulfanylanilino)-N-pentan-3-ylpropanamide
CID 43112908
2-(3-ethylsulfanylphenyl)sulfanylethanethiol
CID 140993719
N-(3-ethylsulfanylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119787006
3-ethylsulfanyl-N-(oxolan-3-ylmethyl)aniline
CID 115887989

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-N-propan-2-ylaniline?
The IUPAC name of 3-ethylsulfanyl-N-propan-2-ylaniline (CID 115885090) is 3-ethylsulfanyl-N-propan-2-ylaniline.
What is the SMILES notation for 3-ethylsulfanyl-N-propan-2-ylaniline?
The canonical SMILES for 3-ethylsulfanyl-N-propan-2-ylaniline is CCSc1cccc(NC(C)C)c1.
What is the InChIKey of 3-ethylsulfanyl-N-propan-2-ylaniline?
The InChIKey is WRLYPMXXUFHRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NS/c1-4-13-11-7-5-6-10(8-11)12-9(2)3/h5-9,12H,4H2,1-3H3.
What are the key properties of 3-ethylsulfanyl-N-propan-2-ylaniline?
3-ethylsulfanyl-N-propan-2-ylaniline has a molecular weight of 195.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-N-propan-2-ylaniline is sourced from PubChem (CID 115885090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).