2-methyl-4-thiophen-3-ylpyrrolidine

C9H13NS — CID 54594904

IUPAC2-methyl-4-thiophen-3-ylpyrrolidine
SMILESCC1CC(c2ccsc2)CN1
InChIInChI=1S/C9H13NS/c1-7-4-9(5-10-7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyLOHWQGFZYGZIOQ-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.21
Rot. Bonds1

About 2-methyl-4-thiophen-3-ylpyrrolidine

2-methyl-4-thiophen-3-ylpyrrolidine (PubChem CID 54594904) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 2-methyl-4-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name2-methyl-4-thiophen-3-ylpyrrolidine
PubChem CID54594904
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name2-methyl-4-thiophen-3-ylpyrrolidine
SMILESCC1CC(c2ccsc2)CN1
InChIInChI=1S/C9H13NS/c1-7-4-9(5-10-7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3
InChIKeyLOHWQGFZYGZIOQ-UHFFFAOYSA-N
XLogP2.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-thiophen-3-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5R)-1-(3-Thienyl)-3-azabicyclo[3.1.0]hexane
CID 44561253
N,N-dipropyl-2-thiophen-3-ylcyclopropan-1-amine;hydrochloride
CID 45259849
4-(3-Thienyl)piperidine
CID 19847314
1-(Thiophen-3-yl)propan-2-amine
CID 13188564
(1R,2S)-2-(Thiophen-3-yl)cyclopropan-1-amine
CID 28901759
N,alpha-Dimethyl-3-thiopheneethanamine
CID 61077840
Methyl[1-(thiophen-3-yl)propan-2-yl]amine hydrochloride
CID 73994837
2-(Thiophen-3-yl)pyrrolidine
CID 3988672
4-(Thiophen-3-yl)piperidine hydrochloride
CID 45073797
2-(Thiophen-3-yl)propan-1-amine
CID 54559053
3-(Thiophen-3-yl)piperidine hydrochloride
CID 45073822
(Propan-2-yl)(1-(thiophen-3-yl)ethyl)amine
CID 53274965

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-3-ylpyrrolidine?
The IUPAC name of 2-methyl-4-thiophen-3-ylpyrrolidine (CID 54594904) is 2-methyl-4-thiophen-3-ylpyrrolidine.
What is the SMILES notation for 2-methyl-4-thiophen-3-ylpyrrolidine?
The canonical SMILES for 2-methyl-4-thiophen-3-ylpyrrolidine is CC1CC(c2ccsc2)CN1.
What is the InChIKey of 2-methyl-4-thiophen-3-ylpyrrolidine?
The InChIKey is LOHWQGFZYGZIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-7-4-9(5-10-7)8-2-3-11-6-8/h2-3,6-7,9-10H,4-5H2,1H3.
What are the key properties of 2-methyl-4-thiophen-3-ylpyrrolidine?
2-methyl-4-thiophen-3-ylpyrrolidine has a molecular weight of 167.28 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 54594904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).