N-(2-methoxycyclopentyl)-4-methylsulfonylaniline

C13H19NO3S — CID 55033416

IUPACN-(2-methoxycyclopentyl)-4-methylsulfonylaniline
SMILESCOC1CCCC1Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-17-13-5-3-4-12(13)14-10-6-8-11(9-7-10)18(2,15)16/h6-9,12-14H,3-5H2,1-2H3
InChIKeyARNTZUYLNRACPM-UHFFFAOYSA-N
MW269.37 g/mol
LogP2.07
Rot. Bonds4

About N-(2-methoxycyclopentyl)-4-methylsulfonylaniline

N-(2-methoxycyclopentyl)-4-methylsulfonylaniline (PubChem CID 55033416) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is N-(2-methoxycyclopentyl)-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-(2-methoxycyclopentyl)-4-methylsulfonylaniline
PubChem CID55033416
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC NameN-(2-methoxycyclopentyl)-4-methylsulfonylaniline
SMILESCOC1CCCC1Nc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H19NO3S/c1-17-13-5-3-4-12(13)14-10-6-8-11(9-7-10)18(2,15)16/h6-9,12-14H,3-5H2,1-2H3
InChIKeyARNTZUYLNRACPM-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 62087885
N-(2-methoxycyclopentyl)-4-nitroaniline
CID 62086642
2-(4-methylsulfonylanilino)cyclopentane-1-carbonitrile
CID 62742212
methyl N-[4-[(2-methoxycyclohexyl)amino]phenyl]carbamate
CID 43788003
2-amino-4-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 79467242
4-methyl-N-(4-methylsulfonylphenyl)cycloheptan-1-amine
CID 65081108
1-N-(4-methylsulfonylphenyl)cyclopropane-1,2-diamine
CID 43598792
4-amino-3-[(2-methoxycyclopentyl)amino]benzenesulfonamide
CID 82906942
4-N-(2-methoxycyclopentyl)benzene-1,4-disulfonamide
CID 62088805
3,4-difluoro-N-(2-methoxycyclohexyl)aniline
CID 43761652
N-ethyl-4-[(2-methoxycyclohexyl)amino]benzamide
CID 43787667
1-[4-[(2-methoxycyclohexyl)amino]phenyl]pyrrolidin-2-one
CID 43780088

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxycyclopentyl)-4-methylsulfonylaniline?
The IUPAC name of N-(2-methoxycyclopentyl)-4-methylsulfonylaniline (CID 55033416) is N-(2-methoxycyclopentyl)-4-methylsulfonylaniline.
What is the SMILES notation for N-(2-methoxycyclopentyl)-4-methylsulfonylaniline?
The canonical SMILES for N-(2-methoxycyclopentyl)-4-methylsulfonylaniline is COC1CCCC1Nc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methoxycyclopentyl)-4-methylsulfonylaniline?
The InChIKey is ARNTZUYLNRACPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-17-13-5-3-4-12(13)14-10-6-8-11(9-7-10)18(2,15)16/h6-9,12-14H,3-5H2,1-2H3.
What are the key properties of N-(2-methoxycyclopentyl)-4-methylsulfonylaniline?
N-(2-methoxycyclopentyl)-4-methylsulfonylaniline has a molecular weight of 269.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxycyclopentyl)-4-methylsulfonylaniline is sourced from PubChem (CID 55033416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).