2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

C14H19NO3S — CID 91704909

IUPAC2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-10(2)9-18-14(17)11-5-3-7-15(11)13(16)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyAGQAVDSKMGUBDP-UHFFFAOYSA-N
MW281.38 g/mol
LogP2.55
Rot. Bonds4

About 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate

2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 91704909) has the molecular formula C14H19NO3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID91704909
Molecular FormulaC14H19NO3S
Molecular Weight281.38 g/mol
Exact Mass281.11
IUPAC Name2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)COC(=O)C1CCCN1C(=O)c1cccs1
InChIInChI=1S/C14H19NO3S/c1-10(2)9-18-14(17)11-5-3-7-15(11)13(16)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3
InChIKeyAGQAVDSKMGUBDP-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate (CID 91704909) is 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is CC(C)COC(=O)C1CCCN1C(=O)c1cccs1.
What is the InChIKey of 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is AGQAVDSKMGUBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3S/c1-10(2)9-18-14(17)11-5-3-7-15(11)13(16)12-6-4-8-19-12/h4,6,8,10-11H,3,5,7,9H2,1-2H3.
What are the key properties of 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate?
2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 281.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 1-(thiophene-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 91704909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).