1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine

C10H17NS — CID 57070658

IUPAC1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
SMILESCC1(CN2CCCC2)CC=CS1
InChIInChI=1S/C10H17NS/c1-10(5-4-8-12-10)9-11-6-2-3-7-11/h4,8H,2-3,5-7,9H2,1H3
InChIKeyBFIAQIMGSMXPMQ-UHFFFAOYSA-N
MW183.32 g/mol
LogP2.49
Rot. Bonds2

About 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine

1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine (PubChem CID 57070658) has the molecular formula C10H17NS and a molecular weight of 183.32 g/mol. Its IUPAC name is 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
PubChem CID57070658
Molecular FormulaC10H17NS
Molecular Weight183.32 g/mol
Exact Mass183.11
IUPAC Name1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
SMILESCC1(CN2CCCC2)CC=CS1
InChIInChI=1S/C10H17NS/c1-10(5-4-8-12-10)9-11-6-2-3-7-11/h4,8H,2-3,5-7,9H2,1H3
InChIKeyBFIAQIMGSMXPMQ-UHFFFAOYSA-N
XLogP2.49
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-[(2-methyl-3H-thiophen-2-yl)methyl]ethanamine
CID 57000948
N,N-dimethyl-1-(2-methyl-3H-thiophen-2-yl)methanamine
CID 57002242
N-ethyl-N-[(2-methyl-2,3-dihydrothiophen-3-yl)methyl]ethanamine
CID 57082603
3-(2,3-Dihydrothiophen-5-yl)-1-methylpyrrolidine
CID 57227293
1-[(E)-2-(thiolan-3-yl)ethenyl]pyrrolidine
CID 59265935
1-[(Z)-2-(thiolan-3-yl)ethenyl]pyrrolidine
CID 59403138
1-[2-(Thiolan-3-yl)ethenyl]pyrrolidine
CID 72265198
3-methyl-1-[(E)-3-propan-2-ylsulfanylprop-2-enyl]pyrrolidine
CID 144748198
1-methyl-3-[(Z)-4-methylpent-1-enyl]sulfinylpyrrolidine
CID 172295409
3-(Methylsulfanylmethyl)-1-prop-2-enylpyrrolidine
CID 131224489

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine (CID 57070658) is 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine is CC1(CN2CCCC2)CC=CS1.
What is the InChIKey of 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine?
The InChIKey is BFIAQIMGSMXPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NS/c1-10(5-4-8-12-10)9-11-6-2-3-7-11/h4,8H,2-3,5-7,9H2,1H3.
What are the key properties of 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine?
1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine has a molecular weight of 183.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine is sourced from PubChem (CID 57070658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).