2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide

C14H23N3O3S — CID 107116318

IUPAC2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC2CCOCC2)c1N
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(18,19)13-5-3-4-12(14(13)15)16-10-11-6-8-20-9-7-11/h3-5,11,16H,6-10,15H2,1-2H3
InChIKeyYZTFNTPVRAXMTO-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.36
Rot. Bonds5

About 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide

2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide (PubChem CID 107116318) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
PubChem CID107116318
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1cccc(NCC2CCOCC2)c1N
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(18,19)13-5-3-4-12(14(13)15)16-10-11-6-8-20-9-7-11/h3-5,11,16H,6-10,15H2,1-2H3
InChIKeyYZTFNTPVRAXMTO-UHFFFAOYSA-N
XLogP1.36
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethylsulfonyl-N-(oxan-4-ylmethyl)aniline
CID 62385978
2-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 112674678
2-[(4-chlorocyclohexyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 106126119
2-[2-amino-3-(dimethylsulfamoyl)anilino]acetic acid
CID 107116230
2-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 107116608
2-amino-N,N-dimethyl-3-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 107116285
2-amino-N,N-dimethyl-3-(3-methylsulfonylpropylamino)benzenesulfonamide
CID 107116170
2-amino-3-(tert-butylamino)-N,N-dimethylbenzenesulfonamide
CID 107115613
2-methyl-3-(oxolan-3-ylmethylamino)benzenesulfonamide
CID 54867006
2-amino-3-[(1-hydroxycyclopentyl)methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116415
2-amino-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]-N,N-dimethylbenzenesulfonamide
CID 107116582
2-amino-N,N-dimethyl-3-(4-methylanilino)benzenesulfonamide
CID 107115709

Frequently Asked Questions

What is the IUPAC name of 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide?
The IUPAC name of 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide (CID 107116318) is 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1cccc(NCC2CCOCC2)c1N.
What is the InChIKey of 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide?
The InChIKey is YZTFNTPVRAXMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)21(18,19)13-5-3-4-12(14(13)15)16-10-11-6-8-20-9-7-11/h3-5,11,16H,6-10,15H2,1-2H3.
What are the key properties of 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide?
2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,N-dimethyl-3-(oxan-4-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 107116318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).