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

C12H24N2O3S — CID 62047874

IUPACN-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-10,13H2
InChIKeyHJYJVQMLXBJWBL-UHFFFAOYSA-N
MW276.40 g/mol
LogP0.75
Rot. Bonds4

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

N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide (PubChem CID 62047874) has the molecular formula C12H24N2O3S and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
PubChem CID62047874
Molecular FormulaC12H24N2O3S
Molecular Weight276.40 g/mol
Exact Mass276.15
IUPAC NameN-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide
SMILESNCC1(NS(=O)(=O)C2CCOCC2)CCCCC1
InChIInChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-10,13H2
InChIKeyHJYJVQMLXBJWBL-UHFFFAOYSA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
CID 90239526
N-(4-methylcyclohexyl)oxane-4-sulfonamide
CID 177349219
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782
N-[1-(aminomethyl)cycloheptyl]oxane-4-sulfonamide
CID 55031293
N-[1-(aminomethyl)cyclohexyl]-2-methoxyethanesulfonamide
CID 61608659
N-[(1-aminocyclohexyl)methyl]-2-methoxyethanesulfonamide
CID 61608847
N-[(1-aminocycloheptyl)methyl]oxane-4-sulfonamide
CID 62047541
N-(2-aminocyclohexyl)oxane-4-sulfonamide
CID 62047552
2-Cyclohexyl-2-(oxan-4-ylsulfonylamino)ethanethioamide
CID 62047722
N-[1-(aminomethyl)cyclopentyl]oxane-4-sulfonamide
CID 62047875
N-(2-amino-4-methylpentyl)oxane-4-sulfonamide
CID 62047909

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide (CID 62047874) is N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide is NCC1(NS(=O)(=O)C2CCOCC2)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide?
The InChIKey is HJYJVQMLXBJWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3S/c13-10-12(6-2-1-3-7-12)14-18(15,16)11-4-8-17-9-5-11/h11,14H,1-10,13H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide?
N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide has a molecular weight of 276.40 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).