1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide

C14H24N2O4S — CID 43588640

IUPAC1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H24N2O4S/c1-19-9-7-16(8-10-20-2)21(17,18)12-14-6-4-3-5-13(14)11-15/h3-6H,7-12,15H2,1-2H3
InChIKeyHZNFZNYKFHTRNV-UHFFFAOYSA-N
MW316.42 g/mol
LogP0.57
Rot. Bonds10

About 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide (PubChem CID 43588640) has the molecular formula C14H24N2O4S and a molecular weight of 316.42 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
PubChem CID43588640
Molecular FormulaC14H24N2O4S
Molecular Weight316.42 g/mol
Exact Mass316.15
IUPAC Name1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(CCOC)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H24N2O4S/c1-19-9-7-16(8-10-20-2)21(17,18)12-14-6-4-3-5-13(14)11-15/h3-6H,7-12,15H2,1-2H3
InChIKeyHZNFZNYKFHTRNV-UHFFFAOYSA-N
XLogP0.57
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)-1-phenylmethanesulfonamide
CID 63287056
N-(2-cyanoethyl)-1-(2-cyanophenyl)-N-(2-methoxyethyl)methanesulfonamide
CID 63286913
N-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-2-methoxyethanesulfonamide
CID 55009541
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-1-(2-nitrophenyl)methanesulfonamide
CID 104624310
1-[2-(aminomethyl)phenyl]-N-(2-hydroxyethyl)-N-methylmethanesulfonamide
CID 54879483
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]acetamide
CID 103101696
2-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 82948468
[2-(methylsulfonylmethyl)phenyl]methanamine
CID 64697035
2-[[2-(aminomethyl)phenyl]methylsulfonyl-ethylamino]-N-methylacetamide
CID 43578983
N-[[2-(aminomethyl)phenyl]methyl]-N-(2-methoxyethyl)pentan-3-amine
CID 55004588
1-[2-(aminomethyl)phenyl]-N-butan-2-yl-N-ethylmethanesulfonamide
CID 43274531
3-(aminomethyl)-4-fluoro-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 63288206

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide (CID 43588640) is 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide is COCCN(CCOC)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide?
The InChIKey is HZNFZNYKFHTRNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S/c1-19-9-7-16(8-10-20-2)21(17,18)12-14-6-4-3-5-13(14)11-15/h3-6H,7-12,15H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide has a molecular weight of 316.42 g/mol, XLogP of 0.57, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N,N-bis(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 43588640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).