N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide

C14H21N3O5S — CID 170009871

IUPACN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
SMILESC/C=C\C(=C/C)S(=O)(=O)NCCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H21N3O5S/c1-3-5-10(4-2)23(21,22)15-9-8-13(19)16-11-6-7-12(18)17-14(11)20/h3-5,11,15H,6-9H2,1-2H3,(H,16,19)(H,17,18,20)/b5-3-,10-4+
InChIKeyJYTTZPFAUVEXMZ-FJQHFOHYSA-N
MW343.41 g/mol
LogP-0.30
Rot. Bonds7

About N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide

N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide (PubChem CID 170009871) has the molecular formula C14H21N3O5S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
PubChem CID170009871
Molecular FormulaC14H21N3O5S
Molecular Weight343.41 g/mol
Exact Mass343.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide
SMILESC/C=C\C(=C/C)S(=O)(=O)NCCC(=O)NC1CCC(=O)NC1=O
InChIInChI=1S/C14H21N3O5S/c1-3-5-10(4-2)23(21,22)15-9-8-13(19)16-11-6-7-12(18)17-14(11)20/h3-5,11,15H,6-9H2,1-2H3,(H,16,19)(H,17,18,20)/b5-3-,10-4+
InChIKeyJYTTZPFAUVEXMZ-FJQHFOHYSA-N
XLogP-0.30
TPSA121.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide (CID 170009871) is N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide is C/C=C\C(=C/C)S(=O)(=O)NCCC(=O)NC1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide?
The InChIKey is JYTTZPFAUVEXMZ-FJQHFOHYSA-N. The full InChI is InChI=1S/C14H21N3O5S/c1-3-5-10(4-2)23(21,22)15-9-8-13(19)16-11-6-7-12(18)17-14(11)20/h3-5,11,15H,6-9H2,1-2H3,(H,16,19)(H,17,18,20)/b5-3-,10-4+.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide?
N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide has a molecular weight of 343.41 g/mol, XLogP of -0.30, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-[[(2E,4Z)-hexa-2,4-dien-3-yl]sulfonylamino]propanamide is sourced from PubChem (CID 170009871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).