[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

C22H32N4O3S2 — CID 53031474

IUPAC[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C22H32N4O3S2/c1-15-8-12-26(13-9-15)31(28,29)19-14-18(24(4)17(19)3)21-23-16(2)20(30-21)22(27)25-10-6-5-7-11-25/h14-15H,5-13H2,1-4H3
InChIKeyFFFHFYXKSLVAFQ-UHFFFAOYSA-N
MW464.66 g/mol
LogP3.81
Rot. Bonds4

About [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone

[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 53031474) has the molecular formula C22H32N4O3S2 and a molecular weight of 464.66 g/mol. Its IUPAC name is [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
PubChem CID53031474
Molecular FormulaC22H32N4O3S2
Molecular Weight464.66 g/mol
Exact Mass464.19
IUPAC Name[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
SMILESCc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)sc1C(=O)N1CCCCC1
InChIInChI=1S/C22H32N4O3S2/c1-15-8-12-26(13-9-15)31(28,29)19-14-18(24(4)17(19)3)21-23-16(2)20(30-21)22(27)25-10-6-5-7-11-25/h14-15H,5-13H2,1-4H3
InChIKeyFFFHFYXKSLVAFQ-UHFFFAOYSA-N
XLogP3.81
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.66
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 53031478
azepan-1-yl-[2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-4-methyl-1,3-thiazol-5-yl]methanone
CID 53114912
N-cyclohexyl-N,1,2-trimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114875
[2-[4-[(2R)-2-ethylpiperidin-1-yl]sulfonyl-1,5-dimethylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 93061503
5-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-N-ethyl-1,2-dimethylpyrrole-3-sulfonamide
CID 53114923
N-[2-(dimethylamino)ethyl]-1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114866
1,2-dimethyl-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-methylphenyl)pyrrole-3-sulfonamide
CID 53114874
1,2-dimethyl-N-(3-methylbutyl)-5-[4-methyl-5-(4-methylpiperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114879
N-butan-2-yl-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114727
1,2-dimethyl-N-(4-methylphenyl)-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114780
N-(2-chlorophenyl)-1,2-dimethyl-5-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]pyrrole-3-sulfonamide
CID 53114781
2-(1,5-dimethyl-4-pyrrolidin-1-ylsulfonylpyrrol-2-yl)-N,N-diethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 53115028

Frequently Asked Questions

What is the IUPAC name of [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone (CID 53031474) is [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is Cc1nc(-c2cc(S(=O)(=O)N3CCC(C)CC3)c(C)n2C)sc1C(=O)N1CCCCC1.
What is the InChIKey of [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is FFFHFYXKSLVAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O3S2/c1-15-8-12-26(13-9-15)31(28,29)19-14-18(24(4)17(19)3)21-23-16(2)20(30-21)22(27)25-10-6-5-7-11-25/h14-15H,5-13H2,1-4H3.
What are the key properties of [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone?
[2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 464.66 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1,5-dimethyl-4-(4-methylpiperidin-1-yl)sulfonylpyrrol-2-yl]-4-methyl-1,3-thiazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53031474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).