2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone

C13H24N2O2S — CID 114236179

IUPAC2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
SMILESCCNC(CS(=O)CC(=O)N1CCCC1)C1CC1
InChIInChI=1S/C13H24N2O2S/c1-2-14-12(11-5-6-11)9-18(17)10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyUKKCIBSXNIRDGA-UHFFFAOYSA-N
MW272.41 g/mol
LogP0.75
Rot. Bonds7

About 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone

2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone (PubChem CID 114236179) has the molecular formula C13H24N2O2S and a molecular weight of 272.41 g/mol. Its IUPAC name is 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
PubChem CID114236179
Molecular FormulaC13H24N2O2S
Molecular Weight272.41 g/mol
Exact Mass272.16
IUPAC Name2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone
SMILESCCNC(CS(=O)CC(=O)N1CCCC1)C1CC1
InChIInChI=1S/C13H24N2O2S/c1-2-14-12(11-5-6-11)9-18(17)10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyUKKCIBSXNIRDGA-UHFFFAOYSA-N
XLogP0.75
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.41
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone (CID 114236179) is 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone is CCNC(CS(=O)CC(=O)N1CCCC1)C1CC1.
What is the InChIKey of 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone?
The InChIKey is UKKCIBSXNIRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2S/c1-2-14-12(11-5-6-11)9-18(17)10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone?
2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone has a molecular weight of 272.41 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclopropyl-2-(ethylamino)ethyl]sulfinyl-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 114236179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).