N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide

C11H22N2O3S — CID 62047875

IUPACN-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C11H22N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-9,12H2
InChIKeyOSVLVLHOQOHMFY-UHFFFAOYSA-N
MW262.37 g/mol
LogP0.36
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide

N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide (PubChem CID 62047875) has the molecular formula C11H22N2O3S and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
PubChem CID62047875
Molecular FormulaC11H22N2O3S
Molecular Weight262.37 g/mol
Exact Mass262.14
IUPAC NameN-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCC1
InChIInChI=1S/C11H22N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-9,12H2
InChIKeyOSVLVLHOQOHMFY-UHFFFAOYSA-N
XLogP0.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide (CID 62047875) is N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide is NCC1(NS(=O)(=O)C2CCOCC2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide?
The InChIKey is OSVLVLHOQOHMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3S/c12-9-11(5-1-2-6-11)13-17(14,15)10-3-7-16-8-4-10/h10,13H,1-9,12H2.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide has a molecular weight of 262.37 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).