N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide

C13H20N2O3S — CID 63252483

IUPACN-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-12(18-2)13(8-9)19(16,17)15-11-5-3-4-10(11)14/h6-8,10-11,15H,3-5,14H2,1-2H3
InChIKeySNQGUEZSZMSYSI-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.16
Rot. Bonds4

About N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide

N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide (PubChem CID 63252483) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
PubChem CID63252483
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide
SMILESCOc1ccc(C)cc1S(=O)(=O)NC1CCCC1N
InChIInChI=1S/C13H20N2O3S/c1-9-6-7-12(18-2)13(8-9)19(16,17)15-11-5-3-4-10(11)14/h6-8,10-11,15H,3-5,14H2,1-2H3
InChIKeySNQGUEZSZMSYSI-UHFFFAOYSA-N
XLogP1.16
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclohexyl)-5-bromo-2-methoxybenzenesulfonamide
CID 61038243
N-(2-aminocyclopentyl)-4-chloro-2-methoxybenzenesulfonamide
CID 63252482
N-(2-aminocycloheptyl)-2-chloro-4-methylbenzenesulfonamide
CID 63258487
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzamide
CID 63251447
N-(2-amino-1-cyclopentylethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 106737938
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)-2-methoxy-5-methylbenzenesulfonamide
CID 66195378
N-[(1S,2S)-2-aminocyclohexyl]-4-methylbenzenesulfonamide;benzene;ruthenium
CID 87792352
N-(cyclohexylmethyl)-2-methoxy-5-methylbenzenesulfonamide
CID 142023630
2,5-dimethoxy-N-[(1R,2R)-2-methylcyclohexyl]benzenesulfonamide
CID 768909
N-[(1S,2R)-2-(aminomethyl)cyclopentyl]-2-methoxybenzenesulfonamide
CID 124513952
N-[2-[(1-amino-4-pyridin-4-yl-1,3-thiazol-1-yl)methyl]cyclohexyl]-2-methoxy-5-methylbenzenesulfonamide
CID 142764217
N-[(3R,4S)-1-acetyl-4-cyclopropylpyrrolidin-3-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 72938812

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide?
The IUPAC name of N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide (CID 63252483) is N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide?
The canonical SMILES for N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide is COc1ccc(C)cc1S(=O)(=O)NC1CCCC1N.
What is the InChIKey of N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide?
The InChIKey is SNQGUEZSZMSYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-9-6-7-12(18-2)13(8-9)19(16,17)15-11-5-3-4-10(11)14/h6-8,10-11,15H,3-5,14H2,1-2H3.
What are the key properties of N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide?
N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopentyl)-2-methoxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 63252483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).