2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

C17H27NOS — CID 114623195

IUPAC2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCc1ccc(SCC(N)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-12-6-8-13(9-7-12)20-11-15(18)14-10-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3
InChIKeyGZESYOZOJFWRKV-UHFFFAOYSA-N
MW293.48 g/mol
LogP4.01
Rot. Bonds4

About 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine

2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 114623195) has the molecular formula C17H27NOS and a molecular weight of 293.48 g/mol. Its IUPAC name is 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID114623195
Molecular FormulaC17H27NOS
Molecular Weight293.48 g/mol
Exact Mass293.18
IUPAC Name2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCc1ccc(SCC(N)C2CC(C)(C)OC2(C)C)cc1
InChIInChI=1S/C17H27NOS/c1-12-6-8-13(9-7-12)20-11-15(18)14-10-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3
InChIKeyGZESYOZOJFWRKV-UHFFFAOYSA-N
XLogP4.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.48
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623206
(4-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622000
2-(3-methylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622944
1-cyclopentyl-2-(4-methylphenyl)sulfanylethanamine
CID 66064798
(3,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052724
2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105189139
N-[(4-methylsulfanylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053011
(3-methylfuran-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623491
(4-methylthiophen-3-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623339
(4-chloro-3-fluorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 107995602
(2,5-dimethylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622010
(4-methoxy-3-methylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 114623396

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 114623195) is 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is Cc1ccc(SCC(N)C2CC(C)(C)OC2(C)C)cc1.
What is the InChIKey of 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is GZESYOZOJFWRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NOS/c1-12-6-8-13(9-7-12)20-11-15(18)14-10-16(2,3)19-17(14,4)5/h6-9,14-15H,10-11,18H2,1-5H3.
What are the key properties of 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 293.48 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114623195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).