N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide

C13H28N2O3S — CID 62007429

IUPACN-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)CCOC
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-10-18-2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3
InChIKeyLRWVYNHFRPAJTA-UHFFFAOYSA-N
MW292.44 g/mol
LogP1.34
Rot. Bonds7

About N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide

N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide (PubChem CID 62007429) has the molecular formula C13H28N2O3S and a molecular weight of 292.44 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide
PubChem CID62007429
Molecular FormulaC13H28N2O3S
Molecular Weight292.44 g/mol
Exact Mass292.18
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide
SMILESCCN(C1(CN)CCCCCC1)S(=O)(=O)CCOC
InChIInChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-10-18-2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3
InChIKeyLRWVYNHFRPAJTA-UHFFFAOYSA-N
XLogP1.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-Ethylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 58561674
[1-(4-Propylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 58561780
N-[1-(aminomethyl)cycloheptyl]-2-methoxyethanesulfonamide
CID 55009781
N-[(1-aminocycloheptyl)methyl]-2-methoxyethanesulfonamide
CID 55014025
N-[1-(aminomethyl)cycloheptyl]-3-methoxypropane-1-sulfonamide
CID 55172490
N-[(1-aminocycloheptyl)methyl]-3-methoxypropane-1-sulfonamide
CID 55172496
N-[1-(aminomethyl)cyclohexyl]-N-ethyl-3-methoxypropane-1-sulfonamide
CID 55172685
N-[1-(aminomethyl)cyclopentyl]-3-methoxy-N-methylpropane-1-sulfonamide
CID 55172877
N-[3-(aminomethyl)pentan-3-yl]-3-methoxy-N-propylpropane-1-sulfonamide
CID 55172879
N-[1-(aminomethyl)cycloheptyl]-2-ethoxyethanesulfonamide
CID 55175263
N-[1-(aminomethyl)cyclohexyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175653
N-[1-(aminomethyl)cycloheptyl]-2-ethoxy-N-methylethanesulfonamide
CID 55175654

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide (CID 62007429) is N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide is CCN(C1(CN)CCCCCC1)S(=O)(=O)CCOC.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide?
The InChIKey is LRWVYNHFRPAJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S/c1-3-15(19(16,17)11-10-18-2)13(12-14)8-6-4-5-7-9-13/h3-12,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide has a molecular weight of 292.44 g/mol, XLogP of 1.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cycloheptyl]-N-ethyl-2-methoxyethanesulfonamide is sourced from PubChem (CID 62007429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).