N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide

C12H26N2O2S — CID 62009824

IUPACN-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)CC
InChIInChI=1S/C12H26N2O2S/c1-3-14(17(15,16)4-2)12(11-13)9-7-5-6-8-10-12/h3-11,13H2,1-2H3
InChIKeyZGCSVTVWJDOMIP-UHFFFAOYSA-N
MW262.42 g/mol
LogP1.71
Rot. Bonds5

About N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide (PubChem CID 62009824) has the molecular formula C12H26N2O2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
PubChem CID62009824
Molecular FormulaC12H26N2O2S
Molecular Weight262.42 g/mol
Exact Mass262.17
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)CC
InChIInChI=1S/C12H26N2O2S/c1-3-14(17(15,16)4-2)12(11-13)9-7-5-6-8-10-12/h3-11,13H2,1-2H3
InChIKeyZGCSVTVWJDOMIP-UHFFFAOYSA-N
XLogP1.71
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-1-[ethyl(sulfamoyl)amino]cyclopentane
CID 114958602
N-[1-(aminomethyl)cyclopentyl]-1-cyclopropyl-N-ethylmethanesulfonamide
CID 64990132
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methylpropane-2-sulfonamide
CID 63689699
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethylethanesulfonamide
CID 62009820
N-[1-(aminomethyl)cyclohexyl]-N-ethylcyclopentanesulfonamide
CID 105360481
N-[1-(aminomethyl)cycloheptyl]-N-propylbutane-1-sulfonamide
CID 62007631
1-(aminomethyl)-1-[tert-butylsulfamoyl(ethyl)amino]cyclopentane
CID 114803863
N-[1-(aminomethyl)cycloheptyl]-N-propylpropane-2-sulfonamide
CID 62008030
N-[1-(aminomethyl)cyclohexyl]-2-methyl-N-propylpropane-2-sulfonamide
CID 63688957
N-[1-(aminomethyl)cycloheptyl]-1,1-difluoro-N-propylmethanesulfonamide
CID 62007833
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-propylethanesulfonamide
CID 63245720
1-(aminomethyl)-1-[ethyl(2,2,2-trifluoroethylsulfamoyl)amino]cyclopentane
CID 114803859

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide (CID 62009824) is N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide is CCN(C1(CN)CCCCCC1)S(=O)(=O)CC.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide?
The InChIKey is ZGCSVTVWJDOMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2S/c1-3-14(17(15,16)4-2)12(11-13)9-7-5-6-8-10-12/h3-11,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide has a molecular weight of 262.42 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-ethylethanesulfonamide is sourced from PubChem (CID 62009824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).