1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide

C15H22N2O4S — CID 119320030

IUPAC1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)13-6-4-12(5-7-13)21-11-10-17-14(18)15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyCQNNROJXPUZZMJ-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.86
Rot. Bonds6

About 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide

1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide (PubChem CID 119320030) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
PubChem CID119320030
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide
SMILESCS(=O)(=O)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O4S/c1-22(19,20)13-6-4-12(5-7-13)21-11-10-17-14(18)15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyCQNNROJXPUZZMJ-UHFFFAOYSA-N
XLogP0.86
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide
CID 119271539
4-(aminomethyl)-N-[2-(4-methylsulfonylphenoxy)ethyl]oxane-4-carboxamide
CID 120931515
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carboxamide
CID 119296010
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclopentane-1-carboxamide
CID 119302828
1-amino-N-[2-(4-chlorophenoxy)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119271538
1-amino-N-[2-(4-methylphenoxy)ethyl]cyclopropane-1-carboxamide
CID 83292674
1-amino-N-[2-(4-propan-2-ylphenoxy)ethyl]cyclohexane-1-carboxamide
CID 119296017
1-amino-N-[3-(4-methoxyphenoxy)propyl]cyclohexane-1-carboxamide
CID 119302836
1-amino-N-[4-(4-methylphenoxy)butyl]cyclopentane-1-carboxamide
CID 119288961
1-amino-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 119296688
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide
CID 119274156
1-amino-N-(2-naphthalen-2-yloxyethyl)cyclopentane-1-carboxamide;hydrochloride
CID 119274155

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide (CID 119320030) is 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide is CS(=O)(=O)c1ccc(OCCNC(=O)C2(N)CCCC2)cc1.
What is the InChIKey of 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide?
The InChIKey is CQNNROJXPUZZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-22(19,20)13-6-4-12(5-7-13)21-11-10-17-14(18)15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18).
What are the key properties of 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide?
1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-(4-methylsulfonylphenoxy)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 119320030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).