(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone

C12H17NOS — CID 67327801

IUPAC(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
SMILESCCCC1(C(=O)c2cccs2)CCNC1
InChIInChI=1S/C12H17NOS/c1-2-5-12(6-7-13-9-12)11(14)10-4-3-8-15-10/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyVGOYAXXMUDTJNV-UHFFFAOYSA-N
MW223.34 g/mol
LogP2.71
Rot. Bonds4

About (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone

(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone (PubChem CID 67327801) has the molecular formula C12H17NOS and a molecular weight of 223.34 g/mol. Its IUPAC name is (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
PubChem CID67327801
Molecular FormulaC12H17NOS
Molecular Weight223.34 g/mol
Exact Mass223.10
IUPAC Name(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone
SMILESCCCC1(C(=O)c2cccs2)CCNC1
InChIInChI=1S/C12H17NOS/c1-2-5-12(6-7-13-9-12)11(14)10-4-3-8-15-10/h3-4,8,13H,2,5-7,9H2,1H3
InChIKeyVGOYAXXMUDTJNV-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570545
3-propyl-N-[(1R)-1-thiophen-2-ylethyl]pyrrolidine-3-carboxamide
CID 81408896
(5-chlorothiophen-2-yl)-(3-propylpiperidin-3-yl)methanone
CID 116569633
4-propyl-1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 63125245
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
CID 63137943
3-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63140808
(3-chloro-1-benzothiophen-2-yl)-(3-propylpyrrolidin-3-yl)methanone
CID 59744948
[(3S)-3-butylpyrrolidin-3-yl]-(4,5-dichlorothiophen-2-yl)methanone
CID 59744780
(4-propoxyphenyl)-(3-propylpyrrolidin-3-yl)methanone
CID 116570590
(3-propylpyrrolidin-3-yl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709361
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
bis((3,4-dichlorophenyl)-[(3S)-3-propylpyrrolidin-3-yl]methanone);methane;hydrochloride;hydroiodide
CID 169427811

Frequently Asked Questions

What is the IUPAC name of (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone (CID 67327801) is (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone is CCCC1(C(=O)c2cccs2)CCNC1.
What is the InChIKey of (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone?
The InChIKey is VGOYAXXMUDTJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NOS/c1-2-5-12(6-7-13-9-12)11(14)10-4-3-8-15-10/h3-4,8,13H,2,5-7,9H2,1H3.
What are the key properties of (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone?
(3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone has a molecular weight of 223.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propylpyrrolidin-3-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 67327801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).