N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride

C13H29ClN2O3S — CID 120607527

IUPACN-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H28N2O3S.ClH/c1-11(2)18-8-9-19(16,17)15-13(10-14)7-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H
InChIKeyGUIGRAHPELMMIH-UHFFFAOYSA-N
MW328.91 g/mol
LogP1.66
Rot. Bonds7

About N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride

N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride (PubChem CID 120607527) has the molecular formula C13H29ClN2O3S and a molecular weight of 328.91 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
PubChem CID120607527
Molecular FormulaC13H29ClN2O3S
Molecular Weight328.91 g/mol
Exact Mass328.16
IUPAC NameN-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride
SMILESCC(C)OCCS(=O)(=O)NC1(CN)CCCCC1C.Cl
InChIInChI=1S/C13H28N2O3S.ClH/c1-11(2)18-8-9-19(16,17)15-13(10-14)7-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H
InChIKeyGUIGRAHPELMMIH-UHFFFAOYSA-N
XLogP1.66
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.91
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride (CID 120607527) is N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride is CC(C)OCCS(=O)(=O)NC1(CN)CCCCC1C.Cl.
What is the InChIKey of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
The InChIKey is GUIGRAHPELMMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3S.ClH/c1-11(2)18-8-9-19(16,17)15-13(10-14)7-5-4-6-12(13)3;/h11-12,15H,4-10,14H2,1-3H3;1H.
What are the key properties of N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride?
N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride has a molecular weight of 328.91 g/mol, XLogP of 1.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2-methylcyclohexyl]-2-propan-2-yloxyethanesulfonamide;hydrochloride is sourced from PubChem (CID 120607527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).