4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine

C16H24N4O3S — CID 1214513

IUPAC4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-5-18-6-8-19(9-7-18)15-3-4-17-14-16(15)24(21,22)20-10-12-23-13-11-20/h2-4,14H,1,5-13H2
InChIKeyKYUKLOXVKYSCCE-UHFFFAOYSA-N
MW352.46 g/mol
LogP0.41
Rot. Bonds5

About 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine

4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 1214513) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
PubChem CID1214513
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC Name4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESC=CCN1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-5-18-6-8-19(9-7-18)15-3-4-17-14-16(15)24(21,22)20-10-12-23-13-11-20/h2-4,14H,1,5-13H2
InChIKeyKYUKLOXVKYSCCE-UHFFFAOYSA-N
XLogP0.41
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 902073
N-{4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]-1-piperazinyl}propanamide
CID 1214521
(4-Pyridin-4-ylpiperazin-1-yl)-(1-pyridin-3-ylsulfonylazetidin-3-yl)methanone
CID 62705315
4-[6-(4-Propan-2-ylpiperazin-1-yl)pyridin-3-yl]sulfonylmorpholine
CID 1214505
2-{4-[3-(Pyrrolidin-1-ylsulfonyl)pyridin-4-yl]piperazin-1-yl}ethanol
CID 325374
1-Isopropyl-4-[3-(1-piperidinylsulfonyl)-4-pyridinyl]piperazine
CID 325375
N-isopropyl-4-[3-(4-morpholinylsulfonyl)-4-pyridinyl]-1-piperazinecarboxamide
CID 1214483
3-(Benzenesulfonyl)-9-pyridin-4-yl-3,9-diazaspiro[5.5]undecane
CID 3233890
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzenesulfonamide
CID 6710499
4-(4-Benzylpiperazin-1-yl)pyridine-3-sulfonamide
CID 73346473
4-[4-(2-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73351067
4-[4-(4-Fluorophenyl)piperazin-1-yl]pyridine-3-sulfonamide
CID 73355562

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine (CID 1214513) is 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine is C=CCN1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1.
What is the InChIKey of 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is KYUKLOXVKYSCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-5-18-6-8-19(9-7-18)15-3-4-17-14-16(15)24(21,22)20-10-12-23-13-11-20/h2-4,14H,1,5-13H2.
What are the key properties of 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 352.46 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-prop-2-enylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 1214513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).