2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

C14H20N2O3S — CID 64824704

IUPAC2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCC1N
InChIInChI=1S/C14H20N2O3S/c1-9-6-7-10(20(2,18)19)8-13(9)16-14(17)11-4-3-5-12(11)15/h6-8,11-12H,3-5,15H2,1-2H3,(H,16,17)
InChIKeySUXPJNBRTWMGSY-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.46
Rot. Bonds3

About 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide

2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (PubChem CID 64824704) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
PubChem CID64824704
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCC1N
InChIInChI=1S/C14H20N2O3S/c1-9-6-7-10(20(2,18)19)8-13(9)16-14(17)11-4-3-5-12(11)15/h6-8,11-12H,3-5,15H2,1-2H3,(H,16,17)
InChIKeySUXPJNBRTWMGSY-UHFFFAOYSA-N
XLogP1.46
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119706448
N-(2-methyl-5-methylsulfonylphenyl)piperidine-4-carboxamide
CID 43703421
2-amino-N-(2,4-dimethylphenyl)cyclopentane-1-carboxamide
CID 64816599
2-amino-N-(2-methoxy-5-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64822574
N-(2-methyl-5-methylsulfonylphenyl)piperidine-2-carboxamide
CID 43703422
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
4-(methylamino)-N-(2-methyl-5-methylsulfonylphenyl)oxolane-3-carboxamide
CID 66267561
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
2-amino-N-(4-fluoro-2-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119679603
2-amino-N-(2-methyl-4-nitrophenyl)cyclopentane-1-carboxamide
CID 64824134
2-amino-N-(4-methyl-3-sulfamoylphenyl)cyclohexane-1-carboxamide
CID 64823639

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide (CID 64824704) is 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCCC1N.
What is the InChIKey of 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
The InChIKey is SUXPJNBRTWMGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-9-6-7-10(20(2,18)19)8-13(9)16-14(17)11-4-3-5-12(11)15/h6-8,11-12H,3-5,15H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide?
2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-methyl-5-methylsulfonylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64824704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).