2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide

C15H23N3O4S — CID 139517095

IUPAC2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)CCC1=O
InChIInChI=1S/C15H23N3O4S/c19-12(16-6-7-18-14(21)4-5-15(18)22)9-23-10-13(20)17-8-11-2-1-3-11/h11H,1-10H2,(H,16,19)(H,17,20)
InChIKeyJSDLTDUJELDYRX-UHFFFAOYSA-N
MW341.43 g/mol
LogP-0.10
Rot. Bonds9

About 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide

2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide (PubChem CID 139517095) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
PubChem CID139517095
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)CCC1=O
InChIInChI=1S/C15H23N3O4S/c19-12(16-6-7-18-14(21)4-5-15(18)22)9-23-10-13(20)17-8-11-2-1-3-11/h11H,1-10H2,(H,16,19)(H,17,20)
InChIKeyJSDLTDUJELDYRX-UHFFFAOYSA-N
XLogP-0.10
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide (CID 139517095) is 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide is O=C(CSCC(=O)NCC1CCC1)NCCN1C(=O)CCC1=O.
What is the InChIKey of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide?
The InChIKey is JSDLTDUJELDYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c19-12(16-6-7-18-14(21)4-5-15(18)22)9-23-10-13(20)17-8-11-2-1-3-11/h11H,1-10H2,(H,16,19)(H,17,20).
What are the key properties of 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide?
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of -0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139517095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).