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

C11H24N2O2S — CID 62008025

IUPACN-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-16(14,15)13(2)11(10-12)8-6-4-5-7-9-11/h3-10,12H2,1-2H3
InChIKeyCIVVEMQQMGIGLH-UHFFFAOYSA-N
MW248.39 g/mol
LogP1.32
Rot. Bonds4

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

N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide (PubChem CID 62008025) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide
PubChem CID62008025
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)C1(CN)CCCCCC1
InChIInChI=1S/C11H24N2O2S/c1-3-16(14,15)13(2)11(10-12)8-6-4-5-7-9-11/h3-10,12H2,1-2H3
InChIKeyCIVVEMQQMGIGLH-UHFFFAOYSA-N
XLogP1.32
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide (CID 62008025) is N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)C1(CN)CCCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide?
The InChIKey is CIVVEMQQMGIGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-16(14,15)13(2)11(10-12)8-6-4-5-7-9-11/h3-10,12H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-methylethanesulfonamide has a molecular weight of 248.39 g/mol, XLogP of 1.32, 4 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-methylethanesulfonamide is sourced from PubChem (CID 62008025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).