1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide

C13H20N2O3S — CID 55033603

IUPAC1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(13)15-19(16,17)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13,15H,3,6-7,9,14H2,1H3
InChIKeyXICBVXYIMNFXFL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.26
Rot. Bonds5

About 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide

1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide (PubChem CID 55033603) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
PubChem CID55033603
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide
SMILESCOC1CCCC1NS(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(13)15-19(16,17)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13,15H,3,6-7,9,14H2,1H3
InChIKeyXICBVXYIMNFXFL-UHFFFAOYSA-N
XLogP1.26
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide (CID 55033603) is 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide is COC1CCCC1NS(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide?
The InChIKey is XICBVXYIMNFXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-18-13-7-3-6-12(13)15-19(16,17)9-10-4-2-5-11(14)8-10/h2,4-5,8,12-13,15H,3,6-7,9,14H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide?
1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide has a molecular weight of 284.38 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-(2-methoxycyclopentyl)methanesulfonamide is sourced from PubChem (CID 55033603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).