2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide

C15H22N2O3S — CID 64679463

IUPAC2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)CC2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)13-6-4-12(5-7-13)11-17-14(18)10-15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyCGEKCDXQJOEDJV-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.37
Rot. Bonds5

About 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide

2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide (PubChem CID 64679463) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
PubChem CID64679463
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide
SMILESCS(=O)(=O)c1ccc(CNC(=O)CC2(N)CCCC2)cc1
InChIInChI=1S/C15H22N2O3S/c1-21(19,20)13-6-4-12(5-7-13)11-17-14(18)10-15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18)
InChIKeyCGEKCDXQJOEDJV-UHFFFAOYSA-N
XLogP1.37
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide (CID 64679463) is 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide is CS(=O)(=O)c1ccc(CNC(=O)CC2(N)CCCC2)cc1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide?
The InChIKey is CGEKCDXQJOEDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-21(19,20)13-6-4-12(5-7-13)11-17-14(18)10-15(16)8-2-3-9-15/h4-7H,2-3,8-11,16H2,1H3,(H,17,18).
What are the key properties of 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide?
2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide has a molecular weight of 310.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-[(4-methylsulfonylphenyl)methyl]acetamide is sourced from PubChem (CID 64679463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).