[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

C15H22ClN3O3S2 — CID 51241085

IUPAC[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O3S2/c1-24(21,22)19-6-2-3-13(19)15(20)18-9-7-17(8-10-18)11-12-4-5-14(16)23-12/h4-5,13H,2-3,6-11H2,1H3
InChIKeyYGPHDXLDZVAHOM-UHFFFAOYSA-N
MW391.95 g/mol
LogP1.47
Rot. Bonds4

About [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone

[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (PubChem CID 51241085) has the molecular formula C15H22ClN3O3S2 and a molecular weight of 391.95 g/mol. Its IUPAC name is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
PubChem CID51241085
Molecular FormulaC15H22ClN3O3S2
Molecular Weight391.95 g/mol
Exact Mass391.08
IUPAC Name[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
SMILESCS(=O)(=O)N1CCCC1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1
InChIInChI=1S/C15H22ClN3O3S2/c1-24(21,22)19-6-2-3-13(19)15(20)18-9-7-17(8-10-18)11-12-4-5-14(16)23-12/h4-5,13H,2-3,6-11H2,1H3
InChIKeyYGPHDXLDZVAHOM-UHFFFAOYSA-N
XLogP1.47
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.95
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylsulfonylpyrrolidin-2-yl)-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 55432841
[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 55429491
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813296
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone
CID 60937005
2-[4-(1-methylsulfonylpyrrolidine-2-carbonyl)piperazin-1-yl]acetic acid
CID 43521379
[4-(4-chlorophenyl)piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone
CID 110281486
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119832696
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-[1-(4-methylbenzoyl)piperidin-3-yl]methanone
CID 55622645
ethyl 4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carboxylate
CID 11748243
2-bromo-1-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]butan-1-one
CID 62854509
1-[(5-chlorothiophen-2-yl)methyl]-4-(2-methylsulfonylethyl)piperazine
CID 78792923
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60936897

Frequently Asked Questions

What is the IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone (CID 51241085) is [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is CS(=O)(=O)N1CCCC1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1.
What is the InChIKey of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
The InChIKey is YGPHDXLDZVAHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O3S2/c1-24(21,22)19-6-2-3-13(19)15(20)18-9-7-17(8-10-18)11-12-4-5-14(16)23-12/h4-5,13H,2-3,6-11H2,1H3.
What are the key properties of [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone?
[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone has a molecular weight of 391.95 g/mol, XLogP of 1.47, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-(1-methylsulfonylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 51241085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).