4-(2-phenylethyl)thiolan-3-amine

C12H17NS — CID 75355570

IUPAC4-(2-phenylethyl)thiolan-3-amine
SMILESNC1CSCC1CCc1ccccc1
InChIInChI=1S/C12H17NS/c13-12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyVQAYWCIUKVXTIG-UHFFFAOYSA-N
MW207.34 g/mol
LogP2.31
Rot. Bonds3

About 4-(2-phenylethyl)thiolan-3-amine

4-(2-phenylethyl)thiolan-3-amine (PubChem CID 75355570) has the molecular formula C12H17NS and a molecular weight of 207.34 g/mol. Its IUPAC name is 4-(2-phenylethyl)thiolan-3-amine.

Molecular Properties

Compound Name4-(2-phenylethyl)thiolan-3-amine
PubChem CID75355570
Molecular FormulaC12H17NS
Molecular Weight207.34 g/mol
Exact Mass207.11
IUPAC Name4-(2-phenylethyl)thiolan-3-amine
SMILESNC1CSCC1CCc1ccccc1
InChIInChI=1S/C12H17NS/c13-12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2
InChIKeyVQAYWCIUKVXTIG-UHFFFAOYSA-N
XLogP2.31
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1S,2R)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754802
cis-(1R,2S)-2-(2-phenylethyl)cyclopentan-1-amine
CID 92754803
4-[2-(1-methylpyrazol-4-yl)ethyl]thiolan-3-amine
CID 103004599
4-(pyridin-3-ylmethyl)thiolan-3-amine
CID 83484518
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
4-[2-(2-methylpyrazol-3-yl)ethyl]thiolan-3-amine
CID 103004598
2,5-bis(2-phenylethyl)-7-oxabicyclo[4.1.0]heptane
CID 72711714
2-[(1S,2R)-2-(iodomethyl)cyclopropyl]ethylbenzene
CID 102318249
(1S,2R,3R)-5-amino-2-methyl-3-(2-phenylethyl)cyclohexan-1-ol
CID 71090567
4-tert-butyl-2-(2-phenylethyl)cyclohexan-1-amine
CID 81013816
4-[(4-bromophenyl)methyl]thiolan-3-amine
CID 83197022
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)thiolan-3-amine?
The IUPAC name of 4-(2-phenylethyl)thiolan-3-amine (CID 75355570) is 4-(2-phenylethyl)thiolan-3-amine.
What is the SMILES notation for 4-(2-phenylethyl)thiolan-3-amine?
The canonical SMILES for 4-(2-phenylethyl)thiolan-3-amine is NC1CSCC1CCc1ccccc1.
What is the InChIKey of 4-(2-phenylethyl)thiolan-3-amine?
The InChIKey is VQAYWCIUKVXTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NS/c13-12-9-14-8-11(12)7-6-10-4-2-1-3-5-10/h1-5,11-12H,6-9,13H2.
What are the key properties of 4-(2-phenylethyl)thiolan-3-amine?
4-(2-phenylethyl)thiolan-3-amine has a molecular weight of 207.34 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)thiolan-3-amine is sourced from PubChem (CID 75355570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).