N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide

C11H18N2O3S — CID 77250809

IUPACN-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(N)c1ccc(NS(C)(=O)=O)c(CCO)c1
InChIInChI=1S/C11H18N2O3S/c1-8(12)9-3-4-11(13-17(2,15)16)10(7-9)5-6-14/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyGTUNKFSSKDMJTQ-UHFFFAOYSA-N
MW258.34 g/mol
LogP0.61
Rot. Bonds5

About N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide

N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide (PubChem CID 77250809) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide
PubChem CID77250809
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC NameN-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide
SMILESCC(N)c1ccc(NS(C)(=O)=O)c(CCO)c1
InChIInChI=1S/C11H18N2O3S/c1-8(12)9-3-4-11(13-17(2,15)16)10(7-9)5-6-14/h3-4,7-8,13-14H,5-6,12H2,1-2H3
InChIKeyGTUNKFSSKDMJTQ-UHFFFAOYSA-N
XLogP0.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)phenyl]methanesulfonamide
CID 117306913
N-[3-(1-aminoethyl)phenyl]methanesulfonamide;hydrochloride
CID 42941938
N-(2-amino-4-propan-2-ylphenyl)methanesulfonamide
CID 165395183
N-[4-[(1R)-1-aminoethyl]-2,5-difluorophenyl]methanesulfonamide;hydrochloride
CID 67047461
N-[2-(bromomethyl)phenyl]methanesulfonamide
CID 114296091
N-[4-[(1R)-1-aminoethyl]-5-fluoro-2-methylphenyl]methanesulfonamide;hydrochloride
CID 66718598
N-[4-[3-[(1S)-1-aminoethyl]phenyl]phenyl]methanesulfonamide
CID 59506232
2-amino-3-[2-(methanesulfonamido)phenyl]propanoic acid
CID 22395840
4-(1-aminoethyl)-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43546293
N-[3-[(1R)-1-aminoethyl]-2-methylphenyl]methanesulfonamide;hydrochloride
CID 142689646
N-[4-[1-(chloroamino)ethyl]-2-methylphenyl]methanesulfonamide
CID 89245904
N-[[4-(1-aminoethyl)phenyl]methyl]methanesulfonamide
CID 119990191

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide (CID 77250809) is N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide is CC(N)c1ccc(NS(C)(=O)=O)c(CCO)c1.
What is the InChIKey of N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide?
The InChIKey is GTUNKFSSKDMJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-8(12)9-3-4-11(13-17(2,15)16)10(7-9)5-6-14/h3-4,7-8,13-14H,5-6,12H2,1-2H3.
What are the key properties of N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide?
N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-aminoethyl)-2-(2-hydroxyethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 77250809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).