2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine

C14H23NS — CID 104688058

IUPAC2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(C(C)(C)C)s2)CCCN1
InChIInChI=1S/C14H23NS/c1-13(2,3)12-7-6-11(16-12)10-14(4)8-5-9-15-14/h6-7,15H,5,8-10H2,1-4H3
InChIKeyUXNSAZOIDSMCHD-UHFFFAOYSA-N
MW237.41 g/mol
LogP3.73
Rot. Bonds2

About 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine

2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine (PubChem CID 104688058) has the molecular formula C14H23NS and a molecular weight of 237.41 g/mol. Its IUPAC name is 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine
PubChem CID104688058
Molecular FormulaC14H23NS
Molecular Weight237.41 g/mol
Exact Mass237.16
IUPAC Name2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine
SMILESCC1(Cc2ccc(C(C)(C)C)s2)CCCN1
InChIInChI=1S/C14H23NS/c1-13(2,3)12-7-6-11(16-12)10-14(4)8-5-9-15-14/h6-7,15H,5,8-10H2,1-4H3
InChIKeyUXNSAZOIDSMCHD-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.41
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-tert-butylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688472
2-[(5-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
CID 66466900
(2S)-2-[(4-tert-butylphenyl)methyl]-2-methylpyrrolidine
CID 124515557
2-methyl-5-[(2-methylpyrrolidin-2-yl)methyl]-1,3-thiazole
CID 104688040
2-[(4-chlorothiophen-2-yl)methyl]-2-methylpyrrolidine
CID 104688117
(2S)-2-[(4-fluorophenyl)methyl]-2-methylpyrrolidine
CID 124511306
3-tert-butyl-1-methyl-4-[(2-methylpyrrolidin-2-yl)methyl]pyrazole
CID 104688096
4-[(2-methylpyrrolidin-2-yl)methyl]pyridine
CID 66465987
(2R)-2-methyl-2-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine
CID 124570457
2-[(5-methylthiophen-2-yl)methyl]-2-propan-2-ylpyrrolidine
CID 104688445
2-[(3,4-difluorophenyl)methyl]-2-methylpyrrolidine
CID 82923443
(2S)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-2-methylpyrrolidine
CID 124570451

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine?
The IUPAC name of 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine (CID 104688058) is 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine is CC1(Cc2ccc(C(C)(C)C)s2)CCCN1.
What is the InChIKey of 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine?
The InChIKey is UXNSAZOIDSMCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NS/c1-13(2,3)12-7-6-11(16-12)10-14(4)8-5-9-15-14/h6-7,15H,5,8-10H2,1-4H3.
What are the key properties of 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine?
2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine has a molecular weight of 237.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butylthiophen-2-yl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 104688058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).