1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide

C14H22N2O3S — CID 63725048

IUPAC1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O3S/c1-16(9-13-5-3-7-19-10-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11,15H2,1H3
InChIKeyPENIUDZIFTXIMV-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.46
Rot. Bonds5

About 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide

1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide (PubChem CID 63725048) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
PubChem CID63725048
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
SMILESCN(CC1CCCOC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C14H22N2O3S/c1-16(9-13-5-3-7-19-10-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11,15H2,1H3
InChIKeyPENIUDZIFTXIMV-UHFFFAOYSA-N
XLogP1.46
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82741380
1-(3-cyanophenyl)-N-methyl-N-(oxolan-3-ylmethyl)methanesulfonamide
CID 71977809
1-(4-cyanophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63707699
1-(3-aminophenyl)-N-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-chlorophenyl)-N-methyl-N-(oxan-4-ylmethyl)methanesulfonamide
CID 91905216
5-amino-2-fluoro-N,3-dimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 80641939
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
3-amino-N,2,5-trimethyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 79884606
3-(1-aminoethyl)-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63706048
N-[(3-aminophenyl)methyl]-N-methyl-1-(oxolan-2-yl)methanesulfonamide
CID 55175662
3-cyano-N-methyl-N-(oxan-3-ylmethyl)benzenesulfonamide
CID 63708026

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide (CID 63725048) is 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide is CN(CC1CCCOC1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
The InChIKey is PENIUDZIFTXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-16(9-13-5-3-7-19-10-13)20(17,18)11-12-4-2-6-14(15)8-12/h2,4,6,8,13H,3,5,7,9-11,15H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide?
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide has a molecular weight of 298.41 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 63725048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).