3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine

C14H22N2S — CID 79950710

IUPAC3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
SMILESCC1CC(CN)(NC(C)c2ccccc2)CS1
InChIInChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3
InChIKeyBYKSFDGCLHMSLI-UHFFFAOYSA-N
MW250.41 g/mol
LogP2.56
Rot. Bonds4

About 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine

3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine (PubChem CID 79950710) has the molecular formula C14H22N2S and a molecular weight of 250.41 g/mol. Its IUPAC name is 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
PubChem CID79950710
Molecular FormulaC14H22N2S
Molecular Weight250.41 g/mol
Exact Mass250.15
IUPAC Name3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine
SMILESCC1CC(CN)(NC(C)c2ccccc2)CS1
InChIInChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3
InChIKeyBYKSFDGCLHMSLI-UHFFFAOYSA-N
XLogP2.56
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine (CID 79950710) is 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine is CC1CC(CN)(NC(C)c2ccccc2)CS1.
What is the InChIKey of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
The InChIKey is BYKSFDGCLHMSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2S/c1-11-8-14(9-15,10-17-11)16-12(2)13-6-4-3-5-7-13/h3-7,11-12,16H,8-10,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine?
3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine has a molecular weight of 250.41 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-methyl-N-(1-phenylethyl)thiolan-3-amine is sourced from PubChem (CID 79950710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).