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

C16H25N3O4S — CID 139516879

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C16H25N3O4S/c20-13(10-24-11-14(21)18-12-4-1-2-5-12)17-8-9-19-15(22)6-3-7-16(19)23/h12H,1-11H2,(H,17,20)(H,18,21)
InChIKeyXEPPUMCXMFNTDZ-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.43
Rot. Bonds8

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

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide (PubChem CID 139516879) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
PubChem CID139516879
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide
SMILESO=C(CSCC(=O)NC1CCCC1)NCCN1C(=O)CCCC1=O
InChIInChI=1S/C16H25N3O4S/c20-13(10-24-11-14(21)18-12-4-1-2-5-12)17-8-9-19-15(22)6-3-7-16(19)23/h12H,1-11H2,(H,17,20)(H,18,21)
InChIKeyXEPPUMCXMFNTDZ-UHFFFAOYSA-N
XLogP0.43
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(4-methyl-2,6-dioxopiperidin-1-yl)ethyl]acetamide
CID 139516849
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
CID 139516814
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,5-dioxopiperazin-1-yl)ethyl]acetamide
CID 167261263
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 17034995
N-cyclopropyl-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 60667695
N-cyclooctyl-2-(2-oxopyrrolidin-1-yl)acetamide
CID 39954322
2-[2-[2-[(2R)-2-methyl-5-oxopyrrolidin-1-yl]ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 166506395
(2R)-2-[4-[2-[[2-[2-(cyclononadecylamino)-2-oxoethyl]sulfanylacetyl]amino]ethyl]-2-oxopyrrolidin-1-yl]butanamide
CID 59400507
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-(2-oxoazepan-1-yl)ethyl]acetamide
CID 139516928
2-[2-[2-(4,4-dimethyl-2,6-dioxopiperidin-1-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 139516852
2-[2-(cyclobutylmethylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]ethyl]acetamide
CID 167261492
N-cyclobutyl-3-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylcarbamoylamino]propanamide
CID 167261004

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide (CID 139516879) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide is O=C(CSCC(=O)NC1CCCC1)NCCN1C(=O)CCCC1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide?
The InChIKey is XEPPUMCXMFNTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c20-13(10-24-11-14(21)18-12-4-1-2-5-12)17-8-9-19-15(22)6-3-7-16(19)23/h12H,1-11H2,(H,17,20)(H,18,21).
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-(2,6-dioxopiperidin-1-yl)ethyl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 0.43, 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-(2,6-dioxopiperidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 139516879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).