[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine

C16H24N2S — CID 79950950

IUPAC[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(c3ccccc3)C2)CS1
InChIInChI=1S/C16H24N2S/c1-13-9-16(11-17,12-19-13)18-8-7-15(10-18)14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3
InChIKeyYVLXMAXGVGMSOK-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.70
Rot. Bonds3

About [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine

[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine (PubChem CID 79950950) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine.

Molecular Properties

Compound Name[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
PubChem CID79950950
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine
SMILESCC1CC(CN)(N2CCC(c3ccccc3)C2)CS1
InChIInChI=1S/C16H24N2S/c1-13-9-16(11-17,12-19-13)18-8-7-15(10-18)14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3
InChIKeyYVLXMAXGVGMSOK-UHFFFAOYSA-N
XLogP2.70
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-3-(4-phenylpiperazin-1-yl)thiolan-3-yl]methanamine
CID 79950571
[5-methyl-3-(4-propylpiperidin-1-yl)thiolan-3-yl]methanamine
CID 79949160
[3-(3-ethyl-4-methylpiperazin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950463
[3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-5-methylthiolan-3-yl]methanamine
CID 79950832
[1-(3-phenylpyrrolidin-1-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 82824035
[1-(4-methylpiperazin-1-yl)-4-phenylcyclohexyl]methanamine
CID 24708363
5-methyl-5-(3-phenylpyrrolidin-1-yl)-7,8-dihydro-6H-naphthalen-2-amine
CID 67867198
[1-(4-benzylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500748
3-phenylpyrrolidine-1-sulfonamide
CID 112687850
2-phenyl-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62488099
1-(3-methylthiophen-2-yl)-1-(3-phenylpyrrolidin-1-yl)propan-2-amine
CID 62133189
1-[2-(3-phenylpyrrolidin-1-yl)ethyl]pyrazol-4-amine
CID 62138451

Frequently Asked Questions

What is the IUPAC name of [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine?
The IUPAC name of [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine (CID 79950950) is [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine.
What is the SMILES notation for [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine?
The canonical SMILES for [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine is CC1CC(CN)(N2CCC(c3ccccc3)C2)CS1.
What is the InChIKey of [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine?
The InChIKey is YVLXMAXGVGMSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-13-9-16(11-17,12-19-13)18-8-7-15(10-18)14-5-3-2-4-6-14/h2-6,13,15H,7-12,17H2,1H3.
What are the key properties of [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine?
[5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine has a molecular weight of 276.45 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-3-(3-phenylpyrrolidin-1-yl)thiolan-3-yl]methanamine is sourced from PubChem (CID 79950950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).