N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide

C27H37FN2OS — CID 142032852

IUPACN-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
SMILESCN(C1CCC(CN2CCC(CCCc3ccc(F)cc3)CC2)C1)S(=O)c1ccccc1
InChIInChI=1S/C27H37FN2OS/c1-29(32(31)27-8-3-2-4-9-27)26-15-12-24(20-26)21-30-18-16-23(17-19-30)7-5-6-22-10-13-25(28)14-11-22/h2-4,8-11,13-14,23-24,26H,5-7,12,15-21H2,1H3
InChIKeyUWGJXPTWTYTEGE-UHFFFAOYSA-N
MW456.67 g/mol
LogP5.68
Rot. Bonds9

About N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide

N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide (PubChem CID 142032852) has the molecular formula C27H37FN2OS and a molecular weight of 456.67 g/mol. Its IUPAC name is N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide.

Molecular Properties

Compound NameN-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
PubChem CID142032852
Molecular FormulaC27H37FN2OS
Molecular Weight456.67 g/mol
Exact Mass456.26
IUPAC NameN-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide
SMILESCN(C1CCC(CN2CCC(CCCc3ccc(F)cc3)CC2)C1)S(=O)c1ccccc1
InChIInChI=1S/C27H37FN2OS/c1-29(32(31)27-8-3-2-4-9-27)26-15-12-24(20-26)21-30-18-16-23(17-19-30)7-5-6-22-10-13-25(28)14-11-22/h2-4,8-11,13-14,23-24,26H,5-7,12,15-21H2,1H3
InChIKeyUWGJXPTWTYTEGE-UHFFFAOYSA-N
XLogP5.68
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.67
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[methyl-[(3R)-3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 153052530
benzene;N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142033004
benzene;benzyl N-methyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032996
methyl N-cyclobutyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032884
benzene;N-methylsulfanyl-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]cyclohexanamine
CID 142032855
benzene;2-[cyclohexyl-[(3R)-3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033378
benzene;2-[cyclopentylmethyl-[3-[[4-[3-(4-methylphenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]amino]acetic acid
CID 142033383
benzene;ethylcyclopentane;4-[3-(4-fluorophenyl)propyl]-1-[(3-methylcyclopentyl)methyl]piperidine;hexanoic acid
CID 142033492
1-[(2,4-dimethylcyclopentyl)methyl]-4-[3-(4-fluorophenyl)propyl]piperidine
CID 142033316
benzyl N-[(3S,4S)-3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]-4-phenylcyclopentyl]-N-methylcarbamate;benzyl N-methyl-N-[(3S,4S)-3-phenyl-4-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 90747890
4-[3-[1-(cyclopropylmethyl)piperidin-4-yl]propyl]-N-methyl-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfinamide
CID 129173677
methyl N-(2-cyclohexylcyclohexyl)-N-[3-[[4-(3-phenylpropyl)piperidin-1-yl]methyl]cyclopentyl]carbamate
CID 142032910

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide?
The IUPAC name of N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide (CID 142032852) is N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide.
What is the SMILES notation for N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide?
The canonical SMILES for N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide is CN(C1CCC(CN2CCC(CCCc3ccc(F)cc3)CC2)C1)S(=O)c1ccccc1.
What is the InChIKey of N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide?
The InChIKey is UWGJXPTWTYTEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN2OS/c1-29(32(31)27-8-3-2-4-9-27)26-15-12-24(20-26)21-30-18-16-23(17-19-30)7-5-6-22-10-13-25(28)14-11-22/h2-4,8-11,13-14,23-24,26H,5-7,12,15-21H2,1H3.
What are the key properties of N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide?
N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide has a molecular weight of 456.67 g/mol, XLogP of 5.68, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[3-(4-fluorophenyl)propyl]piperidin-1-yl]methyl]cyclopentyl]-N-methylbenzenesulfinamide is sourced from PubChem (CID 142032852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).