[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

C18H24N4O4S2 — CID 93075348

IUPAC[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)c(C)s2)no1
InChIInChI=1S/C18H24N4O4S2/c1-12-16(10-15(27-12)17-19-13(2)26-20-17)28(24,25)22-9-5-6-14(11-22)18(23)21-7-3-4-8-21/h10,14H,3-9,11H2,1-2H3/t14-/m0/s1
InChIKeyDJUIOPLKFRTMTC-AWEZNQCLSA-N
MW424.55 g/mol
LogP2.44
Rot. Bonds4

About [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone

[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 93075348) has the molecular formula C18H24N4O4S2 and a molecular weight of 424.55 g/mol. Its IUPAC name is [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID93075348
Molecular FormulaC18H24N4O4S2
Molecular Weight424.55 g/mol
Exact Mass424.12
IUPAC Name[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)c(C)s2)no1
InChIInChI=1S/C18H24N4O4S2/c1-12-16(10-15(27-12)17-19-13(2)26-20-17)28(24,25)22-9-5-6-14(11-22)18(23)21-7-3-4-8-21/h10,14H,3-9,11H2,1-2H3/t14-/m0/s1
InChIKeyDJUIOPLKFRTMTC-AWEZNQCLSA-N
XLogP2.44
TPSA96.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 53042022
azepan-1-yl-[1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53078696
[(3R)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 93058356
[1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 53007067
(4-methylpiperazin-1-yl)-[1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53007070
[(3S)-1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-methylthiophen-3-yl]sulfonylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 93068355
(4-methylpiperazin-1-yl)-[(3R)-1-[2-methyl-5-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 93068367
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 93075384
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-phenylpiperidine-3-carboxamide
CID 93075433
(3R)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 93075420
1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonyl-N-(2,4,6-trimethylphenyl)piperidine-3-carboxamide
CID 53042422
3,4-dihydro-2H-quinolin-1-yl-[1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]methanone
CID 53042412

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone (CID 93075348) is [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is Cc1nc(-c2cc(S(=O)(=O)N3CCC[C@H](C(=O)N4CCCC4)C3)c(C)s2)no1.
What is the InChIKey of [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is DJUIOPLKFRTMTC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H24N4O4S2/c1-12-16(10-15(27-12)17-19-13(2)26-20-17)28(24,25)22-9-5-6-14(11-22)18(23)21-7-3-4-8-21/h10,14H,3-9,11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone?
[(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 424.55 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)thiophen-3-yl]sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 93075348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).