N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide

C9H20N2O3S — CID 90239526

IUPACN-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
SMILESNCC1(NS(=O)(=O)CCO)CCCCC1
InChIInChI=1S/C9H20N2O3S/c10-8-9(4-2-1-3-5-9)11-15(13,14)7-6-12/h11-12H,1-8,10H2
InChIKeyJBROKEGBTUZAQE-UHFFFAOYSA-N
MW236.34 g/mol
LogP-0.44
Rot. Bonds5

About N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide

N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide (PubChem CID 90239526) has the molecular formula C9H20N2O3S and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
PubChem CID90239526
Molecular FormulaC9H20N2O3S
Molecular Weight236.34 g/mol
Exact Mass236.12
IUPAC NameN-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide
SMILESNCC1(NS(=O)(=O)CCO)CCCCC1
InChIInChI=1S/C9H20N2O3S/c10-8-9(4-2-1-3-5-9)11-15(13,14)7-6-12/h11-12H,1-8,10H2
InChIKeyJBROKEGBTUZAQE-UHFFFAOYSA-N
XLogP-0.44
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 5-0.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-aminocyclohexyl)methyl]-2-propan-2-yloxyethanesulfonamide
CID 79594656
N-[1-(aminomethyl)cyclohexyl]ethanesulfonamide
CID 28940494
N-[1-(aminomethyl)cyclohexyl]butane-1-sulfonamide
CID 28940496
N-[1-(aminomethyl)cyclohexyl]propane-1-sulfonamide
CID 28940498
N-[(1-aminocyclohexyl)methyl]propane-1-sulfonamide
CID 43598242
N-[(1-aminocyclohexyl)methyl]butane-1-sulfonamide
CID 43598244
N-[(1-aminocyclohexyl)methyl]ethanesulfonamide
CID 43598245
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-methoxyethanesulfonamide
CID 55009782
N-[1-(aminomethyl)cyclohexyl]propane-2-sulfonamide
CID 60859441
N-[(1-aminocyclohexyl)methyl]propane-2-sulfonamide
CID 60862960
2-[(1-Aminocyclohexyl)methylsulfamoyl]acetic acid
CID 61358963
1-cyclohexyl-N-(2-hydroxyethyl)methanesulfonamide
CID 61453744

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide?
The IUPAC name of N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide (CID 90239526) is N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide?
The canonical SMILES for N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide is NCC1(NS(=O)(=O)CCO)CCCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide?
The InChIKey is JBROKEGBTUZAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3S/c10-8-9(4-2-1-3-5-9)11-15(13,14)7-6-12/h11-12H,1-8,10H2.
What are the key properties of N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide?
N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide has a molecular weight of 236.34 g/mol, XLogP of -0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclohexyl]-2-hydroxyethanesulfonamide is sourced from PubChem (CID 90239526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).