2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide

C15H24N2O3S — CID 107416496

IUPAC2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-3-2-4-13(12)11-17-21(18,19)10-9-20-15-7-5-14(16)6-8-15/h5-8,12-13,17H,2-4,9-11,16H2,1H3
InChIKeyMKYNMQHOVQPIJA-UHFFFAOYSA-N
MW312.43 g/mol
LogP2.00
Rot. Bonds7

About 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide

2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide (PubChem CID 107416496) has the molecular formula C15H24N2O3S and a molecular weight of 312.43 g/mol. Its IUPAC name is 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide.

Molecular Properties

Compound Name2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
PubChem CID107416496
Molecular FormulaC15H24N2O3S
Molecular Weight312.43 g/mol
Exact Mass312.15
IUPAC Name2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
SMILESCC1CCCC1CNS(=O)(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C15H24N2O3S/c1-12-3-2-4-13(12)11-17-21(18,19)10-9-20-15-7-5-14(16)6-8-15/h5-8,12-13,17H,2-4,9-11,16H2,1H3
InChIKeyMKYNMQHOVQPIJA-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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide
CID 107416406
2-(4-aminophenoxy)-N-(2-methyloxolan-3-yl)ethanesulfonamide
CID 82726329
2-(4-aminophenoxy)-N-(3-ethylpentan-3-yl)ethanesulfonamide
CID 65039925
1-[3-(aminomethyl)phenyl]-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107417773
1-(4-cyanophenyl)-N-[(2-methylcyclopentyl)methyl]methanesulfonamide
CID 107418691
N-[(2-methylcyclopentyl)methyl]-2-(propan-2-ylamino)ethanesulfonamide
CID 107419516
2-(4-aminophenoxy)-N-(5-methylhexyl)ethanesulfonamide
CID 115324613
4-[2-(cyclopentylmethylsulfonyl)ethoxy]aniline
CID 63119751
2-(4-aminophenoxy)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]ethanesulfonamide
CID 107843768
2-(4-aminophenoxy)-N-(5-hydroxypentyl)ethanesulfonamide
CID 107316382
3-amino-4-ethyl-N-[(2-methylcyclopentyl)methyl]benzenesulfonamide
CID 107416445
1-[2-(4-aminophenoxy)ethylsulfonyl]-3-propan-2-ylurea
CID 116646347

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The IUPAC name of 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide (CID 107416496) is 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide.
What is the SMILES notation for 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The canonical SMILES for 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide is CC1CCCC1CNS(=O)(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
The InChIKey is MKYNMQHOVQPIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-12-3-2-4-13(12)11-17-21(18,19)10-9-20-15-7-5-14(16)6-8-15/h5-8,12-13,17H,2-4,9-11,16H2,1H3.
What are the key properties of 2-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide?
2-(4-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-(4-aminophenoxy)-N-[(2-methylcyclopentyl)methyl]ethanesulfonamide is sourced from PubChem (CID 107416496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).