1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide

C14H22N2O3S — CID 61435991

IUPAC1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O3S/c1-16(10-14-7-4-8-19-14)20(17,18)11-13-6-3-2-5-12(13)9-15/h2-3,5-6,14H,4,7-11,15H2,1H3
InChIKeyPHLROQQNJCQVDI-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.09
Rot. Bonds6

About 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide

1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide (PubChem CID 61435991) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
PubChem CID61435991
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCO1)S(=O)(=O)Cc1ccccc1CN
InChIInChI=1S/C14H22N2O3S/c1-16(10-14-7-4-8-19-14)20(17,18)11-13-6-3-2-5-12(13)9-15/h2-3,5-6,14H,4,7-11,15H2,1H3
InChIKeyPHLROQQNJCQVDI-UHFFFAOYSA-N
XLogP1.09
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862
1-[2-(aminomethyl)phenyl]-3-(oxolan-2-yl)propan-2-one
CID 174883544
2-(aminomethyl)-N,6-dimethyl-N-(oxan-2-ylmethyl)aniline
CID 107105586
2-(2-aminoethyl)-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 63787027
N-methyl-N-(oxolan-2-ylmethyl)butane-1-sulfonamide
CID 110733190
methyl 2-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzoate
CID 102920398
4-(aminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 79190871
2-(aminomethyl)-N-methyl-N-(oxan-2-ylmethyl)pyridine-3-sulfonamide
CID 106594076
2-(2-aminophenyl)-N-methyl-N-(oxolan-2-ylmethyl)acetamide
CID 61430866
3-[methyl(oxolan-2-ylmethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791453
2-[(oxolan-2-ylmethylamino)methyl]benzenesulfonamide
CID 68614900
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-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide (CID 61435991) is 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide is CN(CC1CCCO1)S(=O)(=O)Cc1ccccc1CN.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
The InChIKey is PHLROQQNJCQVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(10-14-7-4-8-19-14)20(17,18)11-13-6-3-2-5-12(13)9-15/h2-3,5-6,14H,4,7-11,15H2,1H3.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide?
1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-methyl-N-(oxolan-2-ylmethyl)methanesulfonamide is sourced from PubChem (CID 61435991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).