N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

C12H26ClN3O3S — CID 119985507

IUPACN-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CCCC2CN)CC(C)O1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9-7-15(8-10(2)18-9)19(16,17)14-12-5-3-4-11(12)6-13;/h9-12,14H,3-8,13H2,1-2H3;1H
InChIKeyHYAGLNPNLRKMLL-UHFFFAOYSA-N
MW327.88 g/mol
LogP0.48
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride

N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (PubChem CID 119985507) has the molecular formula C12H26ClN3O3S and a molecular weight of 327.88 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
PubChem CID119985507
Molecular FormulaC12H26ClN3O3S
Molecular Weight327.88 g/mol
Exact Mass327.14
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride
SMILESCC1CN(S(=O)(=O)NC2CCCC2CN)CC(C)O1.Cl
InChIInChI=1S/C12H25N3O3S.ClH/c1-9-7-15(8-10(2)18-9)19(16,17)14-12-5-3-4-11(12)6-13;/h9-12,14H,3-8,13H2,1-2H3;1H
InChIKeyHYAGLNPNLRKMLL-UHFFFAOYSA-N
XLogP0.48
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.88
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride (CID 119985507) is N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is CC1CN(S(=O)(=O)NC2CCCC2CN)CC(C)O1.Cl.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
The InChIKey is HYAGLNPNLRKMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S.ClH/c1-9-7-15(8-10(2)18-9)19(16,17)14-12-5-3-4-11(12)6-13;/h9-12,14H,3-8,13H2,1-2H3;1H.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride?
N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride has a molecular weight of 327.88 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2,6-dimethylmorpholine-4-sulfonamide;hydrochloride is sourced from PubChem (CID 119985507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).