4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine

C11H16BrNS — CID 130892965

IUPAC4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESCC1(C)CN(Cc2ccsc2)CC1Br
InChIInChI=1S/C11H16BrNS/c1-11(2)8-13(6-10(11)12)5-9-3-4-14-7-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFGKRQCUDJHJONX-UHFFFAOYSA-N
MW274.23 g/mol
LogP3.35
Rot. Bonds2

About 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine

4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine (PubChem CID 130892965) has the molecular formula C11H16BrNS and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine.

Molecular Properties

Compound Name4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
PubChem CID130892965
Molecular FormulaC11H16BrNS
Molecular Weight274.23 g/mol
Exact Mass273.02
IUPAC Name4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine
SMILESCC1(C)CN(Cc2ccsc2)CC1Br
InChIInChI=1S/C11H16BrNS/c1-11(2)8-13(6-10(11)12)5-9-3-4-14-7-9/h3-4,7,10H,5-6,8H2,1-2H3
InChIKeyFGKRQCUDJHJONX-UHFFFAOYSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-bromo-1-(thiophen-3-ylmethyl)pyrrolidine
CID 80675822
2-[1-(thiophen-3-ylmethyl)azetidin-3-yl]propanoic acid
CID 116684210
1-(thiophen-3-ylmethyl)azetidine
CID 131087701
3-ethyl-1-(thiophen-3-ylmethyl)piperidin-4-one
CID 114509019
(3S,5R)-5-methyl-1-(thiophen-3-ylmethyl)piperidin-3-ol
CID 131084735
1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 62916311
2-methyl-4-(thiophen-3-ylmethyl)morpholine-2-carboxamide
CID 110268312
N-ethyl-1-(thiophen-3-ylmethyl)pyrrolidine-3-sulfonamide
CID 75518432
3-ethyl-1-(thiophen-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 146661334
[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanamine
CID 62068989
[(3R)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]methanol
CID 129367813
3-[[(3aR,6aR)-5-(thiophen-3-ylmethyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrol-3a-yl]methyl]-1,1-dimethylurea
CID 97420518

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine?
The IUPAC name of 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine (CID 130892965) is 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine.
What is the SMILES notation for 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine?
The canonical SMILES for 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine is CC1(C)CN(Cc2ccsc2)CC1Br.
What is the InChIKey of 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine?
The InChIKey is FGKRQCUDJHJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNS/c1-11(2)8-13(6-10(11)12)5-9-3-4-14-7-9/h3-4,7,10H,5-6,8H2,1-2H3.
What are the key properties of 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine?
4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine has a molecular weight of 274.23 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,3-dimethyl-1-(thiophen-3-ylmethyl)pyrrolidine is sourced from PubChem (CID 130892965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).