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

C16H24ClNOS — CID 114623206

IUPAC2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)CSc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H24ClNOS/c1-15(2)9-13(16(3,4)19-15)14(18)10-20-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyFACIJTZWYDXXDM-UHFFFAOYSA-N
MW313.89 g/mol
LogP4.35
Rot. Bonds4

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

2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (PubChem CID 114623206) has the molecular formula C16H24ClNOS and a molecular weight of 313.89 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
PubChem CID114623206
Molecular FormulaC16H24ClNOS
Molecular Weight313.89 g/mol
Exact Mass313.13
IUPAC Name2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
SMILESCC1(C)CC(C(N)CSc2ccc(Cl)cc2)C(C)(C)O1
InChIInChI=1S/C16H24ClNOS/c1-15(2)9-13(16(3,4)19-15)14(18)10-20-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3
InChIKeyFACIJTZWYDXXDM-UHFFFAOYSA-N
XLogP4.35
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.89
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)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-methylphenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114623195
2-(4-chlorophenoxy)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 105189139
2-(3-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine
CID 114622806
2-(4-chlorophenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanol
CID 114622580
2-(4-chlorophenyl)sulfanyl-1-(3,5-dimethylcyclohexyl)ethanamine
CID 66144370
2-(4-chlorophenyl)sulfanyl-1-(oxolan-3-yl)ethanamine
CID 66144366
(2-amino-4-chlorophenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanol
CID 114622632
(3-chlorothiophen-2-yl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053033
N-[(4-methylsulfanylphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 105053011
N-methyl-1-(4-methylsulfanylphenyl)-1-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105053060
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 81352114
(4-fluoro-3-methoxyphenyl)-(2,2,5,5-tetramethyloxolan-3-yl)methanamine
CID 105052799

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine (CID 114623206) is 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is CC1(C)CC(C(N)CSc2ccc(Cl)cc2)C(C)(C)O1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
The InChIKey is FACIJTZWYDXXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNOS/c1-15(2)9-13(16(3,4)19-15)14(18)10-20-12-7-5-11(17)6-8-12/h5-8,13-14H,9-10,18H2,1-4H3.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine?
2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine has a molecular weight of 313.89 g/mol, XLogP of 4.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-1-(2,2,5,5-tetramethyloxolan-3-yl)ethanamine is sourced from PubChem (CID 114623206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).