N-methyl-4-(2-phenoxyethyl)thiolan-3-amine

C13H19NOS — CID 83196190

IUPACN-methyl-4-(2-phenoxyethyl)thiolan-3-amine
SMILESCNC1CSCC1CCOc1ccccc1
InChIInChI=1S/C13H19NOS/c1-14-13-10-16-9-11(13)7-8-15-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyQIVXBCAJPGNSTO-UHFFFAOYSA-N
MW237.37 g/mol
LogP2.41
Rot. Bonds5

About N-methyl-4-(2-phenoxyethyl)thiolan-3-amine

N-methyl-4-(2-phenoxyethyl)thiolan-3-amine (PubChem CID 83196190) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is N-methyl-4-(2-phenoxyethyl)thiolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-(2-phenoxyethyl)thiolan-3-amine
PubChem CID83196190
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC NameN-methyl-4-(2-phenoxyethyl)thiolan-3-amine
SMILESCNC1CSCC1CCOc1ccccc1
InChIInChI=1S/C13H19NOS/c1-14-13-10-16-9-11(13)7-8-15-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3
InChIKeyQIVXBCAJPGNSTO-UHFFFAOYSA-N
XLogP2.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-phenoxyethyl)thiolan-3-amine?
The IUPAC name of N-methyl-4-(2-phenoxyethyl)thiolan-3-amine (CID 83196190) is N-methyl-4-(2-phenoxyethyl)thiolan-3-amine.
What is the SMILES notation for N-methyl-4-(2-phenoxyethyl)thiolan-3-amine?
The canonical SMILES for N-methyl-4-(2-phenoxyethyl)thiolan-3-amine is CNC1CSCC1CCOc1ccccc1.
What is the InChIKey of N-methyl-4-(2-phenoxyethyl)thiolan-3-amine?
The InChIKey is QIVXBCAJPGNSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-14-13-10-16-9-11(13)7-8-15-12-5-3-2-4-6-12/h2-6,11,13-14H,7-10H2,1H3.
What are the key properties of N-methyl-4-(2-phenoxyethyl)thiolan-3-amine?
N-methyl-4-(2-phenoxyethyl)thiolan-3-amine has a molecular weight of 237.37 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-phenoxyethyl)thiolan-3-amine is sourced from PubChem (CID 83196190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).