N-(4-butylphenyl)-5-methylthiolan-3-amine

C15H23NS — CID 79942068

IUPACN-(4-butylphenyl)-5-methylthiolan-3-amine
SMILESCCCCc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C15H23NS/c1-3-4-5-13-6-8-14(9-7-13)16-15-10-12(2)17-11-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyJHIAOADOIWHXFA-UHFFFAOYSA-N
MW249.42 g/mol
LogP4.34
Rot. Bonds5

About N-(4-butylphenyl)-5-methylthiolan-3-amine

N-(4-butylphenyl)-5-methylthiolan-3-amine (PubChem CID 79942068) has the molecular formula C15H23NS and a molecular weight of 249.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-5-methylthiolan-3-amine.

Molecular Properties

Compound NameN-(4-butylphenyl)-5-methylthiolan-3-amine
PubChem CID79942068
Molecular FormulaC15H23NS
Molecular Weight249.42 g/mol
Exact Mass249.16
IUPAC NameN-(4-butylphenyl)-5-methylthiolan-3-amine
SMILESCCCCc1ccc(NC2CSC(C)C2)cc1
InChIInChI=1S/C15H23NS/c1-3-4-5-13-6-8-14(9-7-13)16-15-10-12(2)17-11-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3
InChIKeyJHIAOADOIWHXFA-UHFFFAOYSA-N
XLogP4.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzenesulfonamide
CID 79942375
N-ethyl-4-[(5-methylthiolan-3-yl)amino]benzamide
CID 79942728
N-(4-butylphenyl)-5,5-dimethylthian-3-amine
CID 79955328
5-methyl-N-(4-nitrophenyl)thiolan-3-amine
CID 79942549
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
N-(3-ethoxy-4-methoxyphenyl)-5-methylthiolan-3-amine
CID 79941817
4-N-(4-butylphenyl)-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-diamine
CID 134179374
5-methyl-N-(4-pyrazol-1-ylphenyl)thiolan-3-amine
CID 79941808
N-(2,5-dimethylcyclohexyl)-4-pentylaniline
CID 64776176
N-(5-methylthiolan-3-yl)-1H-indazol-6-amine
CID 79941917
5-methyl-N-(3,4,5-trifluorophenyl)thiolan-3-amine
CID 79949375

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-5-methylthiolan-3-amine?
The IUPAC name of N-(4-butylphenyl)-5-methylthiolan-3-amine (CID 79942068) is N-(4-butylphenyl)-5-methylthiolan-3-amine.
What is the SMILES notation for N-(4-butylphenyl)-5-methylthiolan-3-amine?
The canonical SMILES for N-(4-butylphenyl)-5-methylthiolan-3-amine is CCCCc1ccc(NC2CSC(C)C2)cc1.
What is the InChIKey of N-(4-butylphenyl)-5-methylthiolan-3-amine?
The InChIKey is JHIAOADOIWHXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NS/c1-3-4-5-13-6-8-14(9-7-13)16-15-10-12(2)17-11-15/h6-9,12,15-16H,3-5,10-11H2,1-2H3.
What are the key properties of N-(4-butylphenyl)-5-methylthiolan-3-amine?
N-(4-butylphenyl)-5-methylthiolan-3-amine has a molecular weight of 249.42 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-5-methylthiolan-3-amine is sourced from PubChem (CID 79942068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).