(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone

C16H25N3O4S — CID 53068726

IUPAC(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCCCC2)n1C
InChIInChI=1S/C16H25N3O4S/c1-13-15(24(21,22)19-8-10-23-11-9-19)12-14(17(13)2)16(20)18-6-4-3-5-7-18/h12H,3-11H2,1-2H3
InChIKeyFUJDBRMERHPZFB-UHFFFAOYSA-N
MW355.46 g/mol
LogP0.98
Rot. Bonds3

About (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone

(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone (PubChem CID 53068726) has the molecular formula C16H25N3O4S and a molecular weight of 355.46 g/mol. Its IUPAC name is (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
PubChem CID53068726
Molecular FormulaC16H25N3O4S
Molecular Weight355.46 g/mol
Exact Mass355.16
IUPAC Name(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone
SMILESCc1c(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCCCC2)n1C
InChIInChI=1S/C16H25N3O4S/c1-13-15(24(21,22)19-8-10-23-11-9-19)12-14(17(13)2)16(20)18-6-4-3-5-7-18/h12H,3-11H2,1-2H3
InChIKeyFUJDBRMERHPZFB-UHFFFAOYSA-N
XLogP0.98
TPSA71.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[4-(4-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-piperidin-1-ylmethanone
CID 53068718
azepan-1-yl-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)methanone
CID 7964090
[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53006313
ethyl 4-(azepan-1-ylsulfonyl)-1,5-dimethylpyrrole-2-carboxylate
CID 53069155
[4-(2-ethylpiperidin-1-yl)sulfonyl-1,5-dimethylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53068605
N-cycloheptyl-1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide
CID 53068779
[1,5-dimethyl-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]sulfonylpyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53068623
(3-methyl-5-morpholin-4-ylsulfonyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 4089524
[4-[4-(4-chlorophenyl)piperazin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-(4-methylpiperidin-1-yl)methanone
CID 53068736
azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912
N-[(2-chlorophenyl)methyl]-1,2-dimethyl-5-(piperidine-1-carbonyl)pyrrole-3-sulfonamide
CID 53068661
(1,5-dimethylindol-2-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
CID 46979809

Frequently Asked Questions

What is the IUPAC name of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?
The IUPAC name of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone (CID 53068726) is (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone is Cc1c(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CCCCC2)n1C.
What is the InChIKey of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?
The InChIKey is FUJDBRMERHPZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O4S/c1-13-15(24(21,22)19-8-10-23-11-9-19)12-14(17(13)2)16(20)18-6-4-3-5-7-18/h12H,3-11H2,1-2H3.
What are the key properties of (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone?
(1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone has a molecular weight of 355.46 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethyl-4-morpholin-4-ylsulfonylpyrrol-2-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 53068726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).