1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

C11H18N2O3S — CID 54879483

IUPAC1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-14)17(15,16)9-11-5-3-2-4-10(11)8-12/h2-5,14H,6-9,12H2,1H3
InChIKeyBIOJZGIWJNOOEN-UHFFFAOYSA-N
MW258.34 g/mol
LogP-0.10
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide

1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (PubChem CID 54879483) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
PubChem CID54879483
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
SMILESCN(CCO)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C11H18N2O3S/c1-13(6-7-14)17(15,16)9-11-5-3-2-4-10(11)8-12/h2-5,14H,6-9,12H2,1H3
InChIKeyBIOJZGIWJNOOEN-UHFFFAOYSA-N
XLogP-0.10
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(aminomethyl)phenyl]-N-(cyclopropylmethyl)-N-methylmethanesulfonamide
CID 54884458
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CID 43588640
[2-(methylsulfonylmethyl)phenyl]methanamine
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1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
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CID 103101696
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
2-[[3-(dimethylamino)propyl-methylsulfamoyl]methyl]benzenecarbothioamide
CID 63695408
N-(2-aminoethyl)-N-methyl-1-phenylmethanesulfonamide
CID 61351029
1-(2-aminophenyl)-N-methyl-N-pentylmethanesulfonamide
CID 62020148
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]-N-methylacetamide
CID 43578983
1-[2-(aminomethyl)phenyl]-N-(1,1-dioxothiolan-3-yl)-N-methylmethanesulfonamide
CID 43648691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide (CID 54879483) is 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is CN(CCO)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
The InChIKey is BIOJZGIWJNOOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-13(6-7-14)17(15,16)9-11-5-3-2-4-10(11)8-12/h2-5,14H,6-9,12H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide has a molecular weight of 258.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 54879483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).