1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide

C12H18N2O3S — CID 82741380

IUPAC1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-14(12-5-6-17-8-12)18(15,16)9-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9,13H2,1H3
InChIKeySJYQGVNXYKLTAX-UHFFFAOYSA-N
MW270.35 g/mol
LogP0.82
Rot. Bonds4

About 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide

1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide (PubChem CID 82741380) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide.

Molecular Properties

Compound Name1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
PubChem CID82741380
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide
SMILESCN(C1CCOC1)S(=O)(=O)Cc1cccc(N)c1
InChIInChI=1S/C12H18N2O3S/c1-14(12-5-6-17-8-12)18(15,16)9-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9,13H2,1H3
InChIKeySJYQGVNXYKLTAX-UHFFFAOYSA-N
XLogP0.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 50.82
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-cyclopentyl-N-methylmethanesulfonamide
CID 43266860
1-(3-aminophenyl)-N-cyclohexyl-N-methylmethanesulfonamide
CID 43255876
1-(3-aminophenyl)-N-methyl-N-(oxan-3-ylmethyl)methanesulfonamide
CID 63725048
2-(3-aminophenyl)sulfanyl-N-methyl-N-(oxolan-3-yl)ethanesulfonamide
CID 82741460
N-[(3-aminophenyl)methyl]-N-propan-2-yloxolan-3-amine
CID 63558781
3-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)propanamide
CID 82740888
1-[4-(chloromethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82745962
N-[(3-aminophenyl)methyl]-N-propyloxolan-3-amine
CID 63559150
1-[4-(ethylaminomethyl)phenyl]-N-methyl-N-(oxolan-3-yl)methanesulfonamide
CID 82749172
5-amino-2-ethyl-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741698
1-(3-aminophenyl)-N-benzyl-N-methylmethanesulfonamide
CID 43256235
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The IUPAC name of 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide (CID 82741380) is 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide.
What is the SMILES notation for 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The canonical SMILES for 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide is CN(C1CCOC1)S(=O)(=O)Cc1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
The InChIKey is SJYQGVNXYKLTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-14(12-5-6-17-8-12)18(15,16)9-10-3-2-4-11(13)7-10/h2-4,7,12H,5-6,8-9,13H2,1H3.
What are the key properties of 1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide?
1-(3-aminophenyl)-N-methyl-N-(oxolan-3-yl)methanesulfonamide has a molecular weight of 270.35 g/mol, XLogP of 0.82, 4 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-(oxolan-3-yl)methanesulfonamide is sourced from PubChem (CID 82741380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).