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

C14H28N2O3S — CID 62048241

IUPACN-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-11,15H2,1H3
InChIKeyGTJKPPLJBXRFNP-UHFFFAOYSA-N
MW304.46 g/mol
LogP1.38
Rot. Bonds5

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

N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide (PubChem CID 62048241) has the molecular formula C14H28N2O3S and a molecular weight of 304.46 g/mol. Its IUPAC name is N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide
PubChem CID62048241
Molecular FormulaC14H28N2O3S
Molecular Weight304.46 g/mol
Exact Mass304.18
IUPAC NameN-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide
SMILESCCC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1
InChIInChI=1S/C14H28N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-11,15H2,1H3
InChIKeyGTJKPPLJBXRFNP-UHFFFAOYSA-N
XLogP1.38
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)oxane-4-sulfonamide
CID 177349219
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009829
N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
CID 55031293
N-[1-(aminomethyl)-4-ethylcyclohexyl]-2-methoxy-N-methylethanesulfonamide
CID 62009420
4-Ethyl-1-(oxan-4-ylsulfonylamino)cyclohexane-1-carbothioamide
CID 62047532
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
2-Cyclohexyl-2-(oxan-4-ylsulfonylamino)ethanethioamide
CID 62047722
N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
CID 62047874
N-[1-(aminomethyl)cyclooctyl]oxane-4-sulfonamide
CID 62048059
N-[1-(aminomethyl)-4-methylcyclohexyl]oxane-4-sulfonamide
CID 62048240
N-(2-amino-1-cyclohexylethyl)oxane-4-sulfonamide
CID 62048243

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide (CID 62048241) is N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide is CCC1CCC(CN)(NS(=O)(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide?
The InChIKey is GTJKPPLJBXRFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3S/c1-2-12-3-7-14(11-15,8-4-12)16-20(17,18)13-5-9-19-10-6-13/h12-13,16H,2-11,15H2,1H3.
What are the key properties of N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide has a molecular weight of 304.46 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-4-ethylcyclohexyl]oxane-4-sulfonamide is sourced from PubChem (CID 62048241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).