1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol

C14H22N2O3S — CID 68870224

IUPAC1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-2-20(18,19)11-5-6-13(12(15)9-11)16-10-14(17)7-3-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyCRVDQPBBIPYDRH-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.78
Rot. Bonds5

About 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol

1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol (PubChem CID 68870224) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
PubChem CID68870224
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol
SMILESCCS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(N)c1
InChIInChI=1S/C14H22N2O3S/c1-2-20(18,19)11-5-6-13(12(15)9-11)16-10-14(17)7-3-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3
InChIKeyCRVDQPBBIPYDRH-UHFFFAOYSA-N
XLogP1.78
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65103324
3-amino-4-[(1-hydroxycyclohexyl)methylamino]benzamide
CID 65108096
1-N-[(1-methylcyclopentyl)methyl]-4-methylsulfonylbenzene-1,2-diamine
CID 63821107
3-fluoro-4-[(1-hydroxycyclopentyl)methylamino]benzenesulfonamide
CID 65110927
3-amino-4-[(1-hydroxycycloheptyl)methylamino]benzonitrile
CID 65122900
3-amino-N-methyl-4-[(1-methylcyclopentyl)methylamino]benzenesulfonamide
CID 63821852
3-[2-[(1-hydroxycyclopentyl)methylamino]-5-methylsulfonylphenyl]-2,2-dimethylpropanamide
CID 69179670
3-amino-4-fluoro-N-[(1-hydroxycyclopentyl)methyl]benzenesulfonamide
CID 65103398
1-[(4-amino-2-chloroanilino)methyl]cycloheptan-1-ol
CID 65123434
1-[(4-amino-2-bromoanilino)methyl]cyclopentan-1-ol
CID 65102596
4-amino-3-[(1-hydroxycycloheptyl)methylamino]benzamide
CID 65123098
1-[(2-amino-4-bromoanilino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65115736

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol?
The IUPAC name of 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol (CID 68870224) is 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol.
What is the SMILES notation for 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol?
The canonical SMILES for 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol is CCS(=O)(=O)c1ccc(NCC2(O)CCCC2)c(N)c1.
What is the InChIKey of 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol?
The InChIKey is CRVDQPBBIPYDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-2-20(18,19)11-5-6-13(12(15)9-11)16-10-14(17)7-3-4-8-14/h5-6,9,16-17H,2-4,7-8,10,15H2,1H3.
What are the key properties of 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol?
1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol has a molecular weight of 298.41 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-ethylsulfonylanilino)methyl]cyclopentan-1-ol is sourced from PubChem (CID 68870224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).