(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine

C15H23NOS — CID 95123138

IUPAC(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
SMILESCC(C)Oc1ccccc1CCN[C@@H]1CCSC1
InChIInChI=1S/C15H23NOS/c1-12(2)17-15-6-4-3-5-13(15)7-9-16-14-8-10-18-11-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyMUYQAKBBFLZUFT-CQSZACIVSA-N
MW265.42 g/mol
LogP3.11
Rot. Bonds6

About (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine

(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine (PubChem CID 95123138) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine.

Molecular Properties

Compound Name(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
PubChem CID95123138
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC Name(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine
SMILESCC(C)Oc1ccccc1CCN[C@@H]1CCSC1
InChIInChI=1S/C15H23NOS/c1-12(2)17-15-6-4-3-5-13(15)7-9-16-14-8-10-18-11-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m1/s1
InChIKeyMUYQAKBBFLZUFT-CQSZACIVSA-N
XLogP3.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine 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

N-[2-(2-methoxyphenyl)ethyl]thian-3-amine
CID 103885574
N-[2-(2-chlorophenyl)ethyl]thiolan-3-amine
CID 115714524
N-[(4-propan-2-yloxyphenyl)methyl]thiolan-3-amine
CID 103701618
N-(2-phenoxypropyl)thiolan-3-amine
CID 115889988
N-(2-propan-2-yloxyphenyl)thian-3-amine
CID 62871809
N-[2-(2-chlorophenoxy)ethyl]thiolan-3-amine
CID 115895663
N-[(2-ethylphenyl)methyl]thiolan-3-amine
CID 64682824
2-(2-propan-2-yloxyphenyl)ethanamine
CID 22379502
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
(2-propan-2-yloxyphenyl)-(thiolan-3-yl)methanone
CID 105119937
N-[2-(2-methoxyphenyl)ethyl]-4,4-dimethylthian-3-amine
CID 106259675
N-[2-(2-methoxyphenyl)ethyl]-1-propan-2-ylpyrrolidin-3-amine
CID 103748166

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine?
The IUPAC name of (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine (CID 95123138) is (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine.
What is the SMILES notation for (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine?
The canonical SMILES for (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine is CC(C)Oc1ccccc1CCN[C@@H]1CCSC1.
What is the InChIKey of (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine?
The InChIKey is MUYQAKBBFLZUFT-CQSZACIVSA-N. The full InChI is InChI=1S/C15H23NOS/c1-12(2)17-15-6-4-3-5-13(15)7-9-16-14-8-10-18-11-14/h3-6,12,14,16H,7-11H2,1-2H3/t14-/m1/s1.
What are the key properties of (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine?
(3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine has a molecular weight of 265.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2-propan-2-yloxyphenyl)ethyl]thiolan-3-amine is sourced from PubChem (CID 95123138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).