N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline

C15H24N2O2S — CID 735445

IUPACN-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
SMILESCC(C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)12-16-14-6-8-15(9-7-14)20(18,19)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyMSXOMAXQICDGFT-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.93
Rot. Bonds5

About N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline

N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline (PubChem CID 735445) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
PubChem CID735445
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC NameN-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline
SMILESCC(C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C15H24N2O2S/c1-13(2)12-16-14-6-8-15(9-7-14)20(18,19)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3
InChIKeyMSXOMAXQICDGFT-UHFFFAOYSA-N
XLogP2.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylsulfonyl)-N-methylaniline
CID 43154646
4-(azocan-1-ylsulfonyl)-N-methylaniline
CID 43332108
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
N-(2-methylpropyl)-2-nitro-4-piperidin-1-ylsulfonylaniline
CID 9281950
1-[4-(2-methylpropyl)phenyl]sulfonylpyrrolidine
CID 778269
N-[(1S)-1-phenylethyl]-2-(4-pyrrolidin-1-ylsulfonylanilino)acetamide
CID 9083684
(4-piperidin-1-ylsulfonylphenyl)hydrazine
CID 19351291
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 19684566
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-butan-2-ylbenzenesulfonamide
CID 19684570
(2R)-2-chloro-N-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 2113251
2-[4-(azepan-1-ylsulfonyl)anilino]-N-(4-methylphenyl)acetamide
CID 31054307
1-(4-butan-2-ylphenyl)sulfonylazepane
CID 19682627

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline?
The IUPAC name of N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline (CID 735445) is N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline.
What is the SMILES notation for N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline?
The canonical SMILES for N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline is CC(C)CNc1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline?
The InChIKey is MSXOMAXQICDGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-13(2)12-16-14-6-8-15(9-7-14)20(18,19)17-10-4-3-5-11-17/h6-9,13,16H,3-5,10-12H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline?
N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline has a molecular weight of 296.44 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-piperidin-1-ylsulfonylaniline is sourced from PubChem (CID 735445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).