N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide

C14H28N2O3S — CID 113056755

IUPACN-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O3S/c1-3-12-20(18,19)15-10-11-16(13(2)17)14-8-6-4-5-7-9-14/h14-15H,3-12H2,1-2H3
InChIKeyQHXDJDGEDRLKQD-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.89
Rot. Bonds7

About N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide

N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide (PubChem CID 113056755) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide
PubChem CID113056755
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide
SMILESCCCS(=O)(=O)NCCN(C(C)=O)C1CCCCCC1
InChIInChI=1S/C14H28N2O3S/c1-3-12-20(18,19)15-10-11-16(13(2)17)14-8-6-4-5-7-9-14/h14-15H,3-12H2,1-2H3
InChIKeyQHXDJDGEDRLKQD-UHFFFAOYSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113052978
N-cycloheptyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113056759
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
N-cyclopentyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]acetamide
CID 113052852
N-[2-[acetyl(cyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113052903
N-[2-[acetyl(cyclopentyl)amino]ethyl]pentanamide
CID 113052774
N-[4-[2-[acetyl(cyclopentyl)amino]ethylsulfamoyl]phenyl]acetamide
CID 113052884
N-[2-[cyclopentyl(methyl)amino]ethyl]ethanesulfonamide
CID 63373682
N-[2-[acetyl(cycloheptyl)amino]ethyl]-2,2-dimethylpropanamide
CID 113056688
N-[5-[cyclohexyl(methyl)amino]pentyl]butane-1-sulfonamide
CID 110440573
N-(2-cyclopentylethyl)propane-1-sulfonamide
CID 61383726
N-[2-[acetyl(cyclopentyl)amino]ethyl]-2-methylpropanamide
CID 113052772

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide (CID 113056755) is N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide is CCCS(=O)(=O)NCCN(C(C)=O)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide?
The InChIKey is QHXDJDGEDRLKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-3-12-20(18,19)15-10-11-16(13(2)17)14-8-6-4-5-7-9-14/h14-15H,3-12H2,1-2H3.
What are the key properties of N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide?
N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide has a molecular weight of 304.46 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-N-[2-(propylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113056755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).