(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide

C17H28N2O2S — CID 164632861

IUPAC(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CO[C@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C17H28N2O2S/c1-13(2)11-21-14-7-8-19(10-14)16(20)18-12-17(3,4)15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyZNIVLRJKZILGFC-AWEZNQCLSA-N
MW324.49 g/mol
LogP3.48
Rot. Bonds6

About (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide

(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide (PubChem CID 164632861) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
PubChem CID164632861
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC Name(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
SMILESCC(C)CO[C@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C1
InChIInChI=1S/C17H28N2O2S/c1-13(2)11-21-14-7-8-19(10-14)16(20)18-12-17(3,4)15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20)/t14-/m0/s1
InChIKeyZNIVLRJKZILGFC-AWEZNQCLSA-N
XLogP3.48
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide (CID 164632861) is (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide is CC(C)CO[C@H]1CCN(C(=O)NCC(C)(C)c2cccs2)C1.
What is the InChIKey of (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is ZNIVLRJKZILGFC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-13(2)11-21-14-7-8-19(10-14)16(20)18-12-17(3,4)15-6-5-9-22-15/h5-6,9,13-14H,7-8,10-12H2,1-4H3,(H,18,20)/t14-/m0/s1.
What are the key properties of (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide?
(3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 324.49 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylpropoxy)-N-(2-methyl-2-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 164632861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).