4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide

C18H32N4O4S — CID 26415603

IUPAC4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C2CCN([C@H]3CC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C18H32N4O4S/c1-3-21(4-2)27(25,26)22-11-7-15(8-12-22)14-5-9-20(10-6-14)16-13-17(23)19-18(16)24/h14-16H,3-13H2,1-2H3,(H,19,23,24)/t16-/m0/s1
InChIKeyDLVORPFHIKUMDW-INIZCTEOSA-N
MW400.55 g/mol
LogP0.41
Rot. Bonds6

About 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide

4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide (PubChem CID 26415603) has the molecular formula C18H32N4O4S and a molecular weight of 400.55 g/mol. Its IUPAC name is 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide
PubChem CID26415603
Molecular FormulaC18H32N4O4S
Molecular Weight400.55 g/mol
Exact Mass400.21
IUPAC Name4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide
SMILESCCN(CC)S(=O)(=O)N1CCC(C2CCN([C@H]3CC(=O)NC3=O)CC2)CC1
InChIInChI=1S/C18H32N4O4S/c1-3-21(4-2)27(25,26)22-11-7-15(8-12-22)14-5-9-20(10-6-14)16-13-17(23)19-18(16)24/h14-16H,3-13H2,1-2H3,(H,19,23,24)/t16-/m0/s1
InChIKeyDLVORPFHIKUMDW-INIZCTEOSA-N
XLogP0.41
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.55
LogP ≤ 50.41
H-Bond Donors ≤ 51
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 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide (CID 26415603) is 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide is CCN(CC)S(=O)(=O)N1CCC(C2CCN([C@H]3CC(=O)NC3=O)CC2)CC1.
What is the InChIKey of 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide?
The InChIKey is DLVORPFHIKUMDW-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N4O4S/c1-3-21(4-2)27(25,26)22-11-7-15(8-12-22)14-5-9-20(10-6-14)16-13-17(23)19-18(16)24/h14-16H,3-13H2,1-2H3,(H,19,23,24)/t16-/m0/s1.
What are the key properties of 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide?
4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide has a molecular weight of 400.55 g/mol, XLogP of 0.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S)-2,5-dioxopyrrolidin-3-yl]piperidin-4-yl]-N,N-diethylpiperidine-1-sulfonamide is sourced from PubChem (CID 26415603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).