1-[(5-methylthiophen-2-yl)methyl]pyrrolidine

C10H15NS — CID 59732432

IUPAC1-[(5-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2)s1
InChIInChI=1S/C10H15NS/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
InChIKeyMKJQJVHJPNLGML-UHFFFAOYSA-N
MW181.30 g/mol
LogP2.65
Rot. Bonds2

About 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine

1-[(5-methylthiophen-2-yl)methyl]pyrrolidine (PubChem CID 59732432) has the molecular formula C10H15NS and a molecular weight of 181.30 g/mol. Its IUPAC name is 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5-methylthiophen-2-yl)methyl]pyrrolidine
PubChem CID59732432
Molecular FormulaC10H15NS
Molecular Weight181.30 g/mol
Exact Mass181.09
IUPAC Name1-[(5-methylthiophen-2-yl)methyl]pyrrolidine
SMILESCc1ccc(CN2CCCC2)s1
InChIInChI=1S/C10H15NS/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3
InChIKeyMKJQJVHJPNLGML-UHFFFAOYSA-N
XLogP2.65
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-(2-Thienyl)cyclohexyl)pyrrolidine
CID 62764
N,N-Dimethyl-1-(thiophen-2-yl)methanamine
CID 95702
Bis((thiophen-2-yl)methyl)amine
CID 252453
N-Methyl-1-(thiophen-2-yl)methanamine
CID 436153
(Prop-2-en-1-yl)(thiophen-2-ylmethyl)amine
CID 2560646
Ethyl[(thiophen-2-yl)methyl]amine
CID 4716479
2-(Thiophen-2-yl)pyrrolidine
CID 339554
(2S)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 44456408
(2R)-2-methyl-1-(2-thiophen-2-ylethyl)pyrrolidine
CID 44456409
1-(2-Thiophen-2-ylethyl)pyrrolidine
CID 44456407
1-Methyl-4-(2-thienyl)-1,2,3,6-tetrahydropyridine
CID 133448
2-Pyrrolidin-1-yl-2-thiophen-2-yl-ethylamine
CID 3733262

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine (CID 59732432) is 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine is Cc1ccc(CN2CCCC2)s1.
What is the InChIKey of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
The InChIKey is MKJQJVHJPNLGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NS/c1-9-4-5-10(12-9)8-11-6-2-3-7-11/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine?
1-[(5-methylthiophen-2-yl)methyl]pyrrolidine has a molecular weight of 181.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methylthiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 59732432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).