N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride

C9H17ClN2O3S — CID 115595242

IUPACN-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCNCc1ccco1.Cl
InChIInChI=1S/C9H16N2O3S.ClH/c1-2-15(12,13)11-6-5-10-8-9-4-3-7-14-9;/h3-4,7,10-11H,2,5-6,8H2,1H3;1H
InChIKeyMOUMHZWDALXWDX-UHFFFAOYSA-N
MW268.77 g/mol
LogP0.73
Rot. Bonds7

About N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride

N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride (PubChem CID 115595242) has the molecular formula C9H17ClN2O3S and a molecular weight of 268.77 g/mol. Its IUPAC name is N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
PubChem CID115595242
Molecular FormulaC9H17ClN2O3S
Molecular Weight268.77 g/mol
Exact Mass268.06
IUPAC NameN-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride
SMILESCCS(=O)(=O)NCCNCc1ccco1.Cl
InChIInChI=1S/C9H16N2O3S.ClH/c1-2-15(12,13)11-6-5-10-8-9-4-3-7-14-9;/h3-4,7,10-11H,2,5-6,8H2,1H3;1H
InChIKeyMOUMHZWDALXWDX-UHFFFAOYSA-N
XLogP0.73
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.77
LogP ≤ 50.73
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-[4-(furan-2-ylmethylamino)phenyl]ethanesulfonamide
CID 54866288
2-butan-2-ylsulfonyl-N-(furan-2-ylmethyl)ethanamine
CID 106512680
N'-tert-butyl-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54806819
N,N'-bis(furan-2-ylmethyl)pentane-1,5-diamine
CID 170781680
N-(furan-2-ylmethyl)-2-(2-methylpropylsulfonyl)ethanamine
CID 106512891
N'-(2-ethyl-6-methylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809826
N'-(2,6-dimethylphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54809780
(3S)-1-N-(furan-2-ylmethyl)butane-1,3-diamine
CID 66594455
1-N-(furan-2-ylmethyl)-3-methylbutane-1,3-diamine
CID 64679315
N-(furan-2-ylmethyl)-N'-(1-phenylpropyl)ethane-1,2-diamine
CID 54809598
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
N'-(4-ethoxyphenyl)-N-(furan-2-ylmethyl)ethane-1,2-diamine
CID 54805793

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride?
The IUPAC name of N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride (CID 115595242) is N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride.
What is the SMILES notation for N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride?
The canonical SMILES for N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride is CCS(=O)(=O)NCCNCc1ccco1.Cl.
What is the InChIKey of N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride?
The InChIKey is MOUMHZWDALXWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S.ClH/c1-2-15(12,13)11-6-5-10-8-9-4-3-7-14-9;/h3-4,7,10-11H,2,5-6,8H2,1H3;1H.
What are the key properties of N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride?
N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride has a molecular weight of 268.77 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-ylmethylamino)ethyl]ethanesulfonamide;hydrochloride is sourced from PubChem (CID 115595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).