1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone

C16H23N3O4S2 — CID 7561679

IUPAC1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S2/c20-16(18-8-10-23-11-9-18)13-24-15-5-4-14(12-17-15)25(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11,13H2
InChIKeyRTHRSFQEOXIYQS-UHFFFAOYSA-N
MW385.51 g/mol
LogP1.21
Rot. Bonds5

About 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone

1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone (PubChem CID 7561679) has the molecular formula C16H23N3O4S2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
PubChem CID7561679
Molecular FormulaC16H23N3O4S2
Molecular Weight385.51 g/mol
Exact Mass385.11
IUPAC Name1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
SMILESO=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCOCC1
InChIInChI=1S/C16H23N3O4S2/c20-16(18-8-10-23-11-9-18)13-24-15-5-4-14(12-17-15)25(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11,13H2
InChIKeyRTHRSFQEOXIYQS-UHFFFAOYSA-N
XLogP1.21
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(azepan-1-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 7569990
1-(2-methylmorpholin-4-yl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone
CID 24578006
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 24580143
N-carbamoyl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7561697
N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 16602081
N-(2,6-dichlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117219
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-1-(1H-pyrrol-2-yl)ethanone
CID 7778912
2-[[5-(azepan-1-ylsulfonyl)-2-pyridinyl]sulfanyl]-N-[(2S)-3-methylbutan-2-yl]acetamide
CID 41481598
N-(cyclopentylcarbamoyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 30117534
N,N-bis(2-methylpropyl)-2-[(5-morpholin-4-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 55377579
N-cyclopentyl-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]acetamide
CID 7779585
2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]-1-(2,4,6-trimethylphenyl)ethanone
CID 38969413

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone (CID 7561679) is 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone is O=C(CSc1ccc(S(=O)(=O)N2CCCCC2)cn1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone?
The InChIKey is RTHRSFQEOXIYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O4S2/c20-16(18-8-10-23-11-9-18)13-24-15-5-4-14(12-17-15)25(21,22)19-6-2-1-3-7-19/h4-5,12H,1-3,6-11,13H2.
What are the key properties of 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone has a molecular weight of 385.51 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]ethanone is sourced from PubChem (CID 7561679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).