[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone

C9H11NOS — CID 42076584

IUPAC[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)[C@@H]1CCCN1
InChIInChI=1S/C9H11NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1
InChIKeyPEXKLINUDSGONB-ZETCQYMHSA-N
MW181.26 g/mol
LogP1.68
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone

[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone (PubChem CID 42076584) has the molecular formula C9H11NOS and a molecular weight of 181.26 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
PubChem CID42076584
Molecular FormulaC9H11NOS
Molecular Weight181.26 g/mol
Exact Mass181.06
IUPAC Name[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)[C@@H]1CCCN1
InChIInChI=1S/C9H11NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1
InChIKeyPEXKLINUDSGONB-ZETCQYMHSA-N
XLogP1.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
2-pyrrolidin-2-yl-1-thiophen-2-ylethanone
CID 71755530
N-thiophen-2-ylpyrrolidine-2-carboxamide
CID 115159164
thiophen-2-ylmethyl (2R)-pyrrolidine-2-carboxylate
CID 78923175
N-[4-(thiophene-2-carbonylamino)phenyl]piperidine-2-carboxamide
CID 119309311
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
2-nitrosothiophene;pyrrolidine-2-carboxylic acid
CID 19436882
pyrrolidin-3-yl(thiophen-2-yl)methanone
CID 68933269
1-benzothiophen-7-yl(pyrrolidin-2-yl)methanone
CID 116547417
(2R)-N-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 93263831
(2S)-N-(1-thiophen-2-ylpropan-2-yl)pyrrolidine-2-carboxamide
CID 61178552
azetidin-3-yl(thiophen-2-yl)methanone
CID 58080702

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone (CID 42076584) is [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)[C@@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone?
The InChIKey is PEXKLINUDSGONB-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H11NOS/c11-9(7-3-1-5-10-7)8-4-2-6-12-8/h2,4,6-7,10H,1,3,5H2/t7-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone?
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone has a molecular weight of 181.26 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 42076584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).