2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

C16H26N2OS — CID 46943643

IUPAC2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C)CCCN1CC(C)C
InChIInChI=1S/C16H26N2OS/c1-12(2)11-18-8-5-7-16(18,4)15(19)17-10-14-13(3)6-9-20-14/h6,9,12H,5,7-8,10-11H2,1-4H3,(H,17,19)
InChIKeyVMPNYGIIEVNGAA-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.18
Rot. Bonds5

About 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide

2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 46943643) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID46943643
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide
SMILESCc1ccsc1CNC(=O)C1(C)CCCN1CC(C)C
InChIInChI=1S/C16H26N2OS/c1-12(2)11-18-8-5-7-16(18,4)15(19)17-10-14-13(3)6-9-20-14/h6,9,12H,5,7-8,10-11H2,1-4H3,(H,17,19)
InChIKeyVMPNYGIIEVNGAA-UHFFFAOYSA-N
XLogP3.18
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide (CID 46943643) is 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is Cc1ccsc1CNC(=O)C1(C)CCCN1CC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is VMPNYGIIEVNGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c1-12(2)11-18-8-5-7-16(18,4)15(19)17-10-14-13(3)6-9-20-14/h6,9,12H,5,7-8,10-11H2,1-4H3,(H,17,19).
What are the key properties of 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide?
2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 294.46 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylpropyl)-N-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46943643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).