1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine

C14H21NO4S — CID 117482413

IUPAC1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H21NO4S/c1-18-10-8-11(14(15)6-4-5-7-14)13(19-2)12(9-10)20(3,16)17/h8-9H,4-7,15H2,1-3H3
InChIKeyBIMFBWPHSCIAFY-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine

1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine (PubChem CID 117482413) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
PubChem CID117482413
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine
SMILESCOc1cc(C2(N)CCCC2)c(OC)c(S(C)(=O)=O)c1
InChIInChI=1S/C14H21NO4S/c1-18-10-8-11(14(15)6-4-5-7-14)13(19-2)12(9-10)20(3,16)17/h8-9H,4-7,15H2,1-3H3
InChIKeyBIMFBWPHSCIAFY-UHFFFAOYSA-N
XLogP1.84
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-tert-butyl-2,5-dimethoxyphenyl)cyclohexan-1-amine
CID 117470953
1-(2,3,5-trimethoxyphenyl)cyclobutan-1-amine
CID 117346828
1-(1-isocyanatocyclopropyl)-2,5-dimethoxy-3-methylsulfonylbenzene
CID 117478870
1-(2,3-dimethoxy-4-methylsulfonylphenyl)cyclobutan-1-amine
CID 117459726
1-(5-methoxy-4-methyl-2-methylsulfonylphenyl)cyclobutan-1-amine
CID 117426783
1-(4,5-dimethoxy-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117413644
3-(1-aminocyclohexyl)-5-tert-butyl-2-methoxyphenol
CID 117444880
1-(2,5-difluoro-3-methylsulfonylphenyl)cyclopentan-1-amine
CID 117440287
N-[(2,5-dimethoxy-3-methylsulfonylphenyl)methyl]hydroxylamine
CID 117407158
[1-(2-methoxy-3-methylsulfonylphenyl)cyclohexyl]methanamine
CID 117479118
1-(3,5-dimethoxy-2-methylphenyl)cyclopropan-1-amine
CID 84779618
1-(2,5-dimethoxy-3-methylsulfonylphenyl)ethanol
CID 117404933

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine (CID 117482413) is 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine is COc1cc(C2(N)CCCC2)c(OC)c(S(C)(=O)=O)c1.
What is the InChIKey of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine?
The InChIKey is BIMFBWPHSCIAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-18-10-8-11(14(15)6-4-5-7-14)13(19-2)12(9-10)20(3,16)17/h8-9H,4-7,15H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine?
1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine has a molecular weight of 299.39 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxy-3-methylsulfonylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117482413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).