N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide

C17H24N2O5S2 — CID 47058432

IUPACN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O5S2/c1-25(21,22)14-5-6-15(16(11-14)26(2,23)24)19-9-7-13(8-10-19)18-17(20)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyKYHGPMQXIHSAEI-UHFFFAOYSA-N
MW400.52 g/mol
LogP0.99
Rot. Bonds5

About N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 47058432) has the molecular formula C17H24N2O5S2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID47058432
Molecular FormulaC17H24N2O5S2
Molecular Weight400.52 g/mol
Exact Mass400.11
IUPAC NameN-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c(S(C)(=O)=O)c1
InChIInChI=1S/C17H24N2O5S2/c1-25(21,22)14-5-6-15(16(11-14)26(2,23)24)19-9-7-13(8-10-19)18-17(20)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20)
InChIKeyKYHGPMQXIHSAEI-UHFFFAOYSA-N
XLogP0.99
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]propanamide
CID 47058453
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-ol
CID 22109063
N-cyclopropyl-1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidine-3-carboxamide
CID 56578586
1-[2,4-bis(methylsulfonyl)phenyl]-4-ethylpiperidine
CID 56797131
1-[2,4-bis(methylsulfonyl)phenyl]-4-methylazepane
CID 56800063
5-methyl-N-[1-(2-methylsulfonyl-4-sulfamoylphenyl)piperidin-4-yl]furan-2-carboxamide
CID 56578618
1-[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-2-bromoethanone
CID 118513757
1-[2,4-bis(methylsulfonyl)phenyl]piperidin-3-ol
CID 47015654
1-[2,4-bis(methylsulfonyl)phenyl]-3-methylpiperidine
CID 17408554
N-cyclopropyl-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidine-3-carboxamide
CID 118754402
[4-[2,4-bis(methylsulfonyl)phenyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 55866133
4-[2,4-bis(methylsulfonyl)phenyl]-2,6-dimethylmorpholine
CID 42926998

Frequently Asked Questions

What is the IUPAC name of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide (CID 47058432) is N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide is CS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CC3)CC2)c(S(C)(=O)=O)c1.
What is the InChIKey of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is KYHGPMQXIHSAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5S2/c1-25(21,22)14-5-6-15(16(11-14)26(2,23)24)19-9-7-13(8-10-19)18-17(20)12-3-4-12/h5-6,11-13H,3-4,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 400.52 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,4-bis(methylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 47058432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).