N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine

C17H28N2S — CID 103936271

IUPACN-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCSc1ccccc1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2S/c1-4-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyIESOPSSNOSGCQB-UHFFFAOYSA-N
MW292.49 g/mol
LogP4.33
Rot. Bonds6

About N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine

N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103936271) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103936271
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC NameN-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine
SMILESCCSc1ccccc1NC1CCN(CC(C)C)CC1
InChIInChI=1S/C17H28N2S/c1-4-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3
InChIKeyIESOPSSNOSGCQB-UHFFFAOYSA-N
XLogP4.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine (CID 103936271) is N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine is CCSc1ccccc1NC1CCN(CC(C)C)CC1.
What is the InChIKey of N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is IESOPSSNOSGCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2S/c1-4-20-17-8-6-5-7-16(17)18-15-9-11-19(12-10-15)13-14(2)3/h5-8,14-15,18H,4,9-13H2,1-3H3.
What are the key properties of N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine?
N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 292.49 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylphenyl)-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103936271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).