2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine

C16H24N2S — CID 102670992

IUPAC2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine
SMILESCc1cc(N2CCCC2)ccc1NC1CCSC1C
InChIInChI=1S/C16H24N2S/c1-12-11-14(18-8-3-4-9-18)5-6-15(12)17-16-7-10-19-13(16)2/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3
InChIKeyFWYIJOLCZSALAB-UHFFFAOYSA-N
MW276.45 g/mol
LogP3.90
Rot. Bonds3

About 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine

2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine (PubChem CID 102670992) has the molecular formula C16H24N2S and a molecular weight of 276.45 g/mol. Its IUPAC name is 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine
PubChem CID102670992
Molecular FormulaC16H24N2S
Molecular Weight276.45 g/mol
Exact Mass276.17
IUPAC Name2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine
SMILESCc1cc(N2CCCC2)ccc1NC1CCSC1C
InChIInChI=1S/C16H24N2S/c1-12-11-14(18-8-3-4-9-18)5-6-15(12)17-16-7-10-19-13(16)2/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3
InChIKeyFWYIJOLCZSALAB-UHFFFAOYSA-N
XLogP3.90
TPSA15.27 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 ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine (CID 102670992) is 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine is Cc1cc(N2CCCC2)ccc1NC1CCSC1C.
What is the InChIKey of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine?
The InChIKey is FWYIJOLCZSALAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2S/c1-12-11-14(18-8-3-4-9-18)5-6-15(12)17-16-7-10-19-13(16)2/h5-6,11,13,16-17H,3-4,7-10H2,1-2H3.
What are the key properties of 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine?
2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine has a molecular weight of 276.45 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)thiolan-3-amine is sourced from PubChem (CID 102670992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).