3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine

C9H15NS — CID 57227293

IUPAC3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine
SMILESCN1CCC(C2=CCCS2)C1
InChIInChI=1S/C9H15NS/c1-10-5-4-8(7-10)9-3-2-6-11-9/h3,8H,2,4-7H2,1H3
InChIKeyDCBDQWSGQMSERM-UHFFFAOYSA-N
MW169.29 g/mol
LogP1.96
Rot. Bonds1

About 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine

3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine (PubChem CID 57227293) has the molecular formula C9H15NS and a molecular weight of 169.29 g/mol. Its IUPAC name is 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine
PubChem CID57227293
Molecular FormulaC9H15NS
Molecular Weight169.29 g/mol
Exact Mass169.09
IUPAC Name3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine
SMILESCN1CCC(C2=CCCS2)C1
InChIInChI=1S/C9H15NS/c1-10-5-4-8(7-10)9-3-2-6-11-9/h3,8H,2,4-7H2,1H3
InChIKeyDCBDQWSGQMSERM-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-methyl-3H-thiophen-2-yl)methyl]pyrrolidine
CID 57070658
2-propan-2-yl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
CID 58270244
2-methyl-4,5,6,6a-tetrahydro-3aH-thieno[2,3-c]pyrrole
CID 67967752
5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 87205343
(2E)-N-ethyl-N-methyl-2-(2-sulfanylideneethylidene)thiolane-3-carbothioamide
CID 88873806
5-propyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 142135833
5-Methyl-2,3,3a,4-tetrahydrothieno[3,2-c]pyridine-6-thione
CID 162471297
(3aR)-5-ethyl-3,3a-dihydro-2H-thieno[3,2-c]pyridine-4,6-dithione
CID 170193873
2-[[(E)-5-methylhex-2-enyl]sulfanylmethyl]-1-propan-2-ylpyrrolidine
CID 177980466
(9E)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
CID 10487655
(9Z)-5-methyl-4,6,7,8-tetrahydro-3aH-thieno[3,2-c]azocine
CID 10511618
5-methyl-1-(thiolan-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 128226483

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine?
The IUPAC name of 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine (CID 57227293) is 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine.
What is the SMILES notation for 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine?
The canonical SMILES for 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine is CN1CCC(C2=CCCS2)C1.
What is the InChIKey of 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine?
The InChIKey is DCBDQWSGQMSERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NS/c1-10-5-4-8(7-10)9-3-2-6-11-9/h3,8H,2,4-7H2,1H3.
What are the key properties of 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine?
3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine has a molecular weight of 169.29 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrothiophen-5-yl)-1-methylpyrrolidine is sourced from PubChem (CID 57227293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).