4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine

C16H26N4O3S — CID 1214505

IUPAC4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14(2)18-5-7-19(8-6-18)16-4-3-15(13-17-16)24(21,22)20-9-11-23-12-10-20/h3-4,13-14H,5-12H2,1-2H3
InChIKeyKTANSLZKKYYCCF-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.63
Rot. Bonds4

About 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine

4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine (PubChem CID 1214505) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
PubChem CID1214505
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine
SMILESCC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14(2)18-5-7-19(8-6-18)16-4-3-15(13-17-16)24(21,22)20-9-11-23-12-10-20/h3-4,13-14H,5-12H2,1-2H3
InChIKeyKTANSLZKKYYCCF-UHFFFAOYSA-N
XLogP0.63
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine (CID 1214505) is 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine is CC(C)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1.
What is the InChIKey of 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is KTANSLZKKYYCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-14(2)18-5-7-19(8-6-18)16-4-3-15(13-17-16)24(21,22)20-9-11-23-12-10-20/h3-4,13-14H,5-12H2,1-2H3.
What are the key properties of 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine?
4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 354.48 g/mol, XLogP of 0.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 1214505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).