2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide

C17H27N3O4S — CID 139516849

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
SMILESCC1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C(=O)C1
InChIInChI=1S/C17H27N3O4S/c1-12-8-16(23)20(17(24)9-12)7-6-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyUQYRSEGJKQKZQO-UHFFFAOYSA-N
MW369.49 g/mol
LogP0.68
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide (PubChem CID 139516849) has the molecular formula C17H27N3O4S and a molecular weight of 369.49 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
PubChem CID139516849
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
SMILESCC1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C(=O)C1
InChIInChI=1S/C17H27N3O4S/c1-12-8-16(23)20(17(24)9-12)7-6-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyUQYRSEGJKQKZQO-UHFFFAOYSA-N
XLogP0.68
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.68
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-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide (CID 139516849) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide is CC1CC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C(=O)C1.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The InChIKey is UQYRSEGJKQKZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-8-16(23)20(17(24)9-12)7-6-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide has a molecular weight of 369.49 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139516849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).