N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide

C12H26N2O3S — CID 63290240

IUPACN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H26N2O3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10,13H2,1-2H3
InChIKeyMCHOMHOBPUXMMC-UHFFFAOYSA-N
MW278.42 g/mol
LogP0.85
Rot. Bonds7

About N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide

N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide (PubChem CID 63290240) has the molecular formula C12H26N2O3S and a molecular weight of 278.42 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
PubChem CID63290240
Molecular FormulaC12H26N2O3S
Molecular Weight278.42 g/mol
Exact Mass278.17
IUPAC NameN-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
SMILESCOCCCS(=O)(=O)NC1(CN)CCC(C)CC1
InChIInChI=1S/C12H26N2O3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10,13H2,1-2H3
InChIKeyMCHOMHOBPUXMMC-UHFFFAOYSA-N
XLogP0.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(chloromethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 65032978
N-[1-(hydroxymethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290378
N-[1-(aminomethyl)cyclohexyl]-3-methoxypropane-1-sulfonamide
CID 63290111
N-[4-(aminomethyl)oxan-4-yl]-3-methoxypropane-1-sulfonamide
CID 114170087
N-[[1-(aminomethyl)cyclopropyl]methyl]-3-methoxypropane-1-sulfonamide
CID 115456941
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cycloheptyl]butane-1-sulfonamide
CID 28940678
1-(aminomethyl)-4-methyl-1-[[methyl(propan-2-yl)sulfamoyl]amino]cyclohexane
CID 54947771
N-[1-(aminomethyl)-4-methylcyclohexyl]pyrrolidine-1-sulfonamide
CID 28940696
N-[1-(bromomethyl)-3-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 114293958
N-[1-(aminomethyl)-4-ethylcyclohexyl]-3-methylbutane-1-sulfonamide
CID 63834732
N-(3,3-dimethylcyclopentyl)-3-methoxypropane-1-sulfonamide
CID 115881104

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide (CID 63290240) is N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide is COCCCS(=O)(=O)NC1(CN)CCC(C)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
The InChIKey is MCHOMHOBPUXMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3S/c1-11-4-6-12(10-13,7-5-11)14-18(15,16)9-3-8-17-2/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide?
N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide has a molecular weight of 278.42 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-methylcyclohexyl]-3-methoxypropane-1-sulfonamide is sourced from PubChem (CID 63290240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).