N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline

C16H25NOS — CID 65170411

IUPACN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
SMILESCCOC1CC(Nc2ccc(SC)cc2)C1(C)CC
InChIInChI=1S/C16H25NOS/c1-5-16(3)14(11-15(16)18-6-2)17-12-7-9-13(19-4)10-8-12/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyOGVRZUPXWLMJRY-UHFFFAOYSA-N
MW279.45 g/mol
LogP4.41
Rot. Bonds6

About N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline

N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline (PubChem CID 65170411) has the molecular formula C16H25NOS and a molecular weight of 279.45 g/mol. Its IUPAC name is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline.

Molecular Properties

Compound NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
PubChem CID65170411
Molecular FormulaC16H25NOS
Molecular Weight279.45 g/mol
Exact Mass279.17
IUPAC NameN-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline
SMILESCCOC1CC(Nc2ccc(SC)cc2)C1(C)CC
InChIInChI=1S/C16H25NOS/c1-5-16(3)14(11-15(16)18-6-2)17-12-7-9-13(19-4)10-8-12/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyOGVRZUPXWLMJRY-UHFFFAOYSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfonyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]aniline
CID 126799474
4-(difluoromethylsulfanyl)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 43673017
N-(4-methoxy-4-methylpentan-2-yl)-4-(trifluoromethylsulfanyl)aniline
CID 43720447
4-(difluoromethylsulfanyl)-N-(4-methoxybutan-2-yl)aniline
CID 61864602
N-[4-(difluoromethylsulfanyl)phenyl]-2-propyloxan-4-amine
CID 64099228
N-[4-(difluoromethylsulfanyl)phenyl]-2-ethyl-2-methyloxan-4-amine
CID 64099229
N-[4-(difluoromethylsulfanyl)phenyl]-2,2-dimethyloxan-4-amine
CID 64099230
N-[4-(difluoromethylsulfanyl)phenyl]-2-ethyloxan-4-amine
CID 64099427
N-[4-(difluoromethylsulfanyl)phenyl]-2-methyloxan-4-amine
CID 64099428
N-[4-(difluoromethylsulfanyl)phenyl]-2-propan-2-yloxan-4-amine
CID 64099429
2-methyl-N-[4-(trifluoromethylsulfanyl)phenyl]oxan-4-amine
CID 64100302
2-propan-2-yl-N-[4-(trifluoromethylsulfanyl)phenyl]oxan-4-amine
CID 64100303

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline?
The IUPAC name of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline (CID 65170411) is N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline.
What is the SMILES notation for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline?
The canonical SMILES for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline is CCOC1CC(Nc2ccc(SC)cc2)C1(C)CC.
What is the InChIKey of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline?
The InChIKey is OGVRZUPXWLMJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NOS/c1-5-16(3)14(11-15(16)18-6-2)17-12-7-9-13(19-4)10-8-12/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline?
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline has a molecular weight of 279.45 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-4-methylsulfanylaniline is sourced from PubChem (CID 65170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).