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

C13H28N2O2S — CID 62007832

IUPACN-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S/c1-3-11-15(18(16,17)4-2)13(12-14)9-7-5-6-8-10-13/h3-12,14H2,1-2H3
InChIKeyXRJSUTIYPOIXMK-UHFFFAOYSA-N
MW276.45 g/mol
LogP2.10
Rot. Bonds6

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

N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide (PubChem CID 62007832) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide
PubChem CID62007832
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide
SMILESCCCN(C1(CN)CCCCCC1)S(=O)(=O)CC
InChIInChI=1S/C13H28N2O2S/c1-3-11-15(18(16,17)4-2)13(12-14)9-7-5-6-8-10-13/h3-12,14H2,1-2H3
InChIKeyXRJSUTIYPOIXMK-UHFFFAOYSA-N
XLogP2.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 52.10
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-propylethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide (CID 62007832) is N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide is CCCN(C1(CN)CCCCCC1)S(=O)(=O)CC.
What is the InChIKey of N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide?
The InChIKey is XRJSUTIYPOIXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-3-11-15(18(16,17)4-2)13(12-14)9-7-5-6-8-10-13/h3-12,14H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide?
N-[1-(aminomethyl)cycloheptyl]-N-propylethanesulfonamide has a molecular weight of 276.45 g/mol, XLogP of 2.10, 6 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-propylethanesulfonamide is sourced from PubChem (CID 62007832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).