(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone

C13H19NOS — CID 2741532

IUPAC(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C13H19NOS/c1-13(2,3)11-7-6-10(16-11)12(15)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3
InChIKeyNMXUYRLEYFWAEC-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.28
Rot. Bonds1

About (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone

(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone (PubChem CID 2741532) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone
PubChem CID2741532
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Name(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone
SMILESCC(C)(C)c1ccc(C(=O)N2CCCC2)s1
InChIInChI=1S/C13H19NOS/c1-13(2,3)11-7-6-10(16-11)12(15)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3
InChIKeyNMXUYRLEYFWAEC-UHFFFAOYSA-N
XLogP3.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone (CID 2741532) is (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone is CC(C)(C)c1ccc(C(=O)N2CCCC2)s1.
What is the InChIKey of (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NMXUYRLEYFWAEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOS/c1-13(2,3)11-7-6-10(16-11)12(15)14-8-4-5-9-14/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone?
(5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 237.37 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butylthiophen-2-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 2741532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).