2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide

C15H24N2O3S — CID 107416406

IUPAC2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-2-5-13(12)11-17-21(18,19)9-8-20-15-7-3-6-14(16)10-15/h3,6-7,10,12-13,17H,2,4-5,8-9,11,16H2,1H3
InChIKeyUNYUOEDONBPOMV-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.00
Rot. Bonds7

About 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide

2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide (PubChem CID 107416406) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
PubChem CID107416406
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H24N2O3S/c1-12-4-2-5-13(12)11-17-21(18,19)9-8-20-15-7-3-6-14(16)10-15/h3,6-7,10,12-13,17H,2,4-5,8-9,11,16H2,1H3
InChIKeyUNYUOEDONBPOMV-UHFFFAOYSA-N
XLogP2.00
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.43
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416496
2-(3-aminophenoxy)-N-but-3-enylethanesulfonamide
CID 113465308
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
2-(3-aminophenoxy)-N-(5-oxopyrrolidin-3-yl)ethanesulfonamide
CID 106180836
2-(3-aminophenoxy)-N-[(3-hydroxyoxolan-3-yl)methyl]ethanesulfonamide
CID 106099193
3-[[(1S,2S)-2-methylcyclobutyl]methoxy]aniline
CID 124855379
N-[2-(3-aminophenoxy)ethyl]-3,3-dimethylbutane-1-sulfonamide
CID 103520856
3-[2-(2,6-dimethylpiperidin-1-yl)ethoxy]aniline
CID 43365571
2-(3-aminophenoxy)-N-(1,3-dihydroxypropan-2-yl)ethanesulfonamide
CID 65310670
3-[2-(2-methylsulfonylethylsulfonyl)ethoxy]aniline
CID 63658125
2-(3-aminophenoxy)-N-(2-methylcyclopentyl)acetamide
CID 63277444

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide (CID 107416406) is 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide is CC1CCCC1CNS(=O)(=O)CCOc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The InChIKey is UNYUOEDONBPOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-4-2-5-13(12)11-17-21(18,19)9-8-20-15-7-3-6-14(16)10-15/h3,6-7,10,12-13,17H,2,4-5,8-9,11,16H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide has a molecular weight of 312.43 g/mol, XLogP of 2.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107416406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).