N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine

C15H24N2O4S2 — CID 133322605

IUPACN-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-12-23(20,21)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)22(2,18)19/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyDMTFCZFYESHILS-UHFFFAOYSA-N
MW360.50 g/mol
LogP1.71
Rot. Bonds6

About N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine

N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine (PubChem CID 133322605) has the molecular formula C15H24N2O4S2 and a molecular weight of 360.50 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine
PubChem CID133322605
Molecular FormulaC15H24N2O4S2
Molecular Weight360.50 g/mol
Exact Mass360.12
IUPAC NameN-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine
SMILESCCCS(=O)(=O)N1CCC(Nc2ccccc2S(C)(=O)=O)CC1
InChIInChI=1S/C15H24N2O4S2/c1-3-12-23(20,21)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)22(2,18)19/h4-7,13,16H,3,8-12H2,1-2H3
InChIKeyDMTFCZFYESHILS-UHFFFAOYSA-N
XLogP1.71
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-nitrophenyl)-1-propylsulfonylpiperidin-4-amine
CID 60503125
N-(2-methylsulfonylphenyl)-4-propylcycloheptan-1-amine
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1-cyclopentyl-N-(2-methylsulfonylphenyl)pyrrolidin-3-amine
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N-(2-methylsulfonylphenyl)-1-oxothian-4-amine
CID 54981813
N-(4-tert-butylcyclohexyl)-2-methylsulfonylaniline
CID 43724620
N-(2-ethylsulfonylphenyl)-1-propan-2-ylpiperidin-4-amine
CID 43738170
N-(4-chlorocyclohexyl)-2-propylsulfonylaniline
CID 65027980
N-(2-ethylsulfonylphenyl)-1-methylpyrrolidin-3-amine
CID 61465017
N-[(2S)-1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 97230058
N-[1-(2-methylphenyl)propan-2-yl]-1-propylsulfonylpiperidin-4-amine
CID 75382742
N-(2-ethylsulfonylphenyl)cycloheptanamine
CID 43453589
4-bromo-2-methyl-5-[(1-propylsulfonylpiperidin-4-yl)amino]pyridazin-3-one
CID 133303428

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine?
The IUPAC name of N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine (CID 133322605) is N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine is CCCS(=O)(=O)N1CCC(Nc2ccccc2S(C)(=O)=O)CC1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine?
The InChIKey is DMTFCZFYESHILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4S2/c1-3-12-23(20,21)17-10-8-13(9-11-17)16-14-6-4-5-7-15(14)22(2,18)19/h4-7,13,16H,3,8-12H2,1-2H3.
What are the key properties of N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine?
N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine has a molecular weight of 360.50 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-1-propylsulfonylpiperidin-4-amine is sourced from PubChem (CID 133322605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).