N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

C12H18N2OS — CID 94087258

IUPACN,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H18N2OS/c1-13(2)12(15)8-14-6-3-4-11(14)10-5-7-16-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-/m1/s1
InChIKeyAVOXRFVPJAIWSD-LLVKDONJSA-N
MW238.36 g/mol
LogP1.97
Rot. Bonds3

About N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide

N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 94087258) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID94087258
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
SMILESCN(C)C(=O)CN1CCC[C@@H]1c1ccsc1
InChIInChI=1S/C12H18N2OS/c1-13(2)12(15)8-14-6-3-4-11(14)10-5-7-16-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-/m1/s1
InChIKeyAVOXRFVPJAIWSD-LLVKDONJSA-N
XLogP1.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 94087258) is N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is CN(C)C(=O)CN1CCC[C@@H]1c1ccsc1.
What is the InChIKey of N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is AVOXRFVPJAIWSD-LLVKDONJSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-13(2)12(15)8-14-6-3-4-11(14)10-5-7-16-9-10/h5,7,9,11H,3-4,6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide has a molecular weight of 238.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94087258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).