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

C12H18N2OS — CID 94087259

IUPACN,N-dimethyl-2-[(2S)-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-/m0/s1
InChIKeyAVOXRFVPJAIWSD-NSHDSACASA-N
MW238.36 g/mol
LogP1.97
Rot. Bonds3

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

N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (PubChem CID 94087259) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
PubChem CID94087259
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC NameN,N-dimethyl-2-[(2S)-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-/m0/s1
InChIKeyAVOXRFVPJAIWSD-NSHDSACASA-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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Related Compounds

N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 60509890
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
3-(4-fluoro-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035121
3-(2-methoxy-N-[2-(2-thiophen-3-ylpyrrolidin-1-yl)acetyl]anilino)propanamide
CID 47035125
cyclopropyl-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94117667
2,2-dimethyl-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
CID 64591656
(2R)-1-propan-2-yl-2-thiophen-3-ylpyrrolidine
CID 124500963
1-(2-thiophen-3-ylpiperidin-1-yl)ethanone
CID 102544384
1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 47053590
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide (CID 94087259) is N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2S)-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-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
The InChIKey is AVOXRFVPJAIWSD-NSHDSACASA-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-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide?
N,N-dimethyl-2-[(2S)-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-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 94087259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).