N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride

C8H19ClN2O2S — CID 10444437

IUPACN-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-13(11,12)10-8-5-3-7(9)4-6-8;/h7-8,10H,2-6,9H2,1H3;1H
InChIKeyITOWZNFQARECMP-UHFFFAOYSA-N
MW242.77 g/mol
LogP0.62
Rot. Bonds3

About N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride

N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride (PubChem CID 10444437) has the molecular formula C8H19ClN2O2S and a molecular weight of 242.77 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride
PubChem CID10444437
Molecular FormulaC8H19ClN2O2S
Molecular Weight242.77 g/mol
Exact Mass242.09
IUPAC NameN-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NC1CCC(N)CC1.Cl
InChIInChI=1S/C8H18N2O2S.ClH/c1-2-13(11,12)10-8-5-3-7(9)4-6-8;/h7-8,10H,2-6,9H2,1H3;1H
InChIKeyITOWZNFQARECMP-UHFFFAOYSA-N
XLogP0.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride?
The IUPAC name of N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride (CID 10444437) is N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride is CCS(=O)(=O)NC1CCC(N)CC1.Cl.
What is the InChIKey of N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride?
The InChIKey is ITOWZNFQARECMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2S.ClH/c1-2-13(11,12)10-8-5-3-7(9)4-6-8;/h7-8,10H,2-6,9H2,1H3;1H.
What are the key properties of N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride?
N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride has a molecular weight of 242.77 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 10444437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).