2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide

C17H27N3O4S — CID 139516814

IUPAC2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CCC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H27N3O4S/c1-12-6-7-16(23)20(17(12)24)9-8-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyHZTFBVWBLFGEOF-LBPRGKRZSA-N
MW369.49 g/mol
LogP0.68
Rot. Bonds8

About 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide

2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide (PubChem CID 139516814) 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-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
PubChem CID139516814
Molecular FormulaC17H27N3O4S
Molecular Weight369.49 g/mol
Exact Mass369.17
IUPAC Name2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide
SMILESC[C@H]1CCC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O
InChIInChI=1S/C17H27N3O4S/c1-12-6-7-16(23)20(17(12)24)9-8-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1
InChIKeyHZTFBVWBLFGEOF-LBPRGKRZSA-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-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide (CID 139516814) is 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide is C[C@H]1CCC(=O)N(CCNC(=O)CSCC(=O)NC2CCCC2)C1=O.
What is the InChIKey of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide?
The InChIKey is HZTFBVWBLFGEOF-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H27N3O4S/c1-12-6-7-16(23)20(17(12)24)9-8-18-14(21)10-25-11-15(22)19-13-4-2-3-5-13/h12-13H,2-11H2,1H3,(H,18,21)(H,19,22)/t12-/m0/s1.
What are the key properties of 2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide?
2-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-N-[2-[(3S)-3-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-[(3S)-3-methyl-2,6-dioxopiperidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 139516814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).