4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine

C20H32N4O3S — CID 133454493

IUPAC4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCCC(N3CCCCCC3)C2)nc1)N1CCOCC1
InChIInChI=1S/C20H32N4O3S/c25-28(26,24-12-14-27-15-13-24)19-7-8-20(21-16-19)23-11-5-6-18(17-23)22-9-3-1-2-4-10-22/h7-8,16,18H,1-6,9-15,17H2
InChIKeySHZRRVLKSOJPDS-UHFFFAOYSA-N
MW408.57 g/mol
LogP1.95
Rot. Bonds4

About 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine

4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine (PubChem CID 133454493) has the molecular formula C20H32N4O3S and a molecular weight of 408.57 g/mol. Its IUPAC name is 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine.

Molecular Properties

Compound Name4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
PubChem CID133454493
Molecular FormulaC20H32N4O3S
Molecular Weight408.57 g/mol
Exact Mass408.22
IUPAC Name4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine
SMILESO=S(=O)(c1ccc(N2CCCC(N3CCCCCC3)C2)nc1)N1CCOCC1
InChIInChI=1S/C20H32N4O3S/c25-28(26,24-12-14-27-15-13-24)19-7-8-20(21-16-19)23-11-5-6-18(17-23)22-9-3-1-2-4-10-22/h7-8,16,18H,1-6,9-15,17H2
InChIKeySHZRRVLKSOJPDS-UHFFFAOYSA-N
XLogP1.95
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)pyrrolidin-3-yl]piperazine
CID 133292793
(2S,6R)-2,6-dimethyl-4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)morpholine
CID 7042964
5-pyrrolidin-1-ylsulfonyl-2-[3-[5-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]pyridine
CID 75448694
1-[1-(5-chloro-2-pyridinyl)piperidin-3-yl]azepane
CID 133454485
6-(3-morpholin-4-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 172899261
1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)azetidine-3-carboxylic acid
CID 122064558
1-[[6-(3-fluoropiperidin-1-yl)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 139004098
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
3-[1-(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)piperidin-3-yl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
CID 133292080
(3S)-N-phenyl-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)piperidine-3-carboxamide
CID 51927781
4-[[6-(2,3-dimethylpyrrolidin-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133357732
5-(3-morpholin-4-ylpyrrolidin-1-yl)sulfonylpyridin-2-amine
CID 63174663

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The IUPAC name of 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine (CID 133454493) is 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine.
What is the SMILES notation for 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The canonical SMILES for 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine is O=S(=O)(c1ccc(N2CCCC(N3CCCCCC3)C2)nc1)N1CCOCC1.
What is the InChIKey of 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
The InChIKey is SHZRRVLKSOJPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3S/c25-28(26,24-12-14-27-15-13-24)19-7-8-20(21-16-19)23-11-5-6-18(17-23)22-9-3-1-2-4-10-22/h7-8,16,18H,1-6,9-15,17H2.
What are the key properties of 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine?
4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine has a molecular weight of 408.57 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[3-(azepan-1-yl)piperidin-1-yl]-3-pyridinyl]sulfonyl]morpholine is sourced from PubChem (CID 133454493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).