4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide

C14H23N3O3S — CID 82898941

IUPAC4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide
SMILESCN(c1cc(S(=O)(=O)N(C)C)ccc1N)C1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-13(15)14(10-12)17(3)11-6-8-20-9-7-11/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyIKGYJOPUALTLFH-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide

4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide (PubChem CID 82898941) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide
PubChem CID82898941
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide
SMILESCN(c1cc(S(=O)(=O)N(C)C)ccc1N)C1CCOCC1
InChIInChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-13(15)14(10-12)17(3)11-6-8-20-9-7-11/h4-5,10-11H,6-9,15H2,1-3H3
InChIKeyIKGYJOPUALTLFH-UHFFFAOYSA-N
XLogP1.13
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N,N-dimethyl-3-morpholin-4-ylbenzenesulfonamide
CID 82899628
3-amino-4-methoxy-N-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610677
4-amino-3-[cyclopropylmethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899998
4-iodo-1-N-methyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 66064700
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
3-amino-4-[cyclopropyl(methyl)amino]benzenesulfonamide
CID 43264692
3-amino-N,N-dimethyl-4-[methyl(oxolan-2-ylmethyl)amino]benzenesulfonamide
CID 61431527
4-amino-3-[ethyl(propyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82899326
4-amino-N-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 82741535
4-amino-3-(cyclopropylmethoxy)-N,N-dimethylbenzenesulfonamide
CID 82900891
4-bromo-N,3-dimethyl-N-(oxan-4-yl)benzenesulfonamide
CID 60822991
4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 82899863

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide (CID 82898941) is 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide is CN(c1cc(S(=O)(=O)N(C)C)ccc1N)C1CCOCC1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide?
The InChIKey is IKGYJOPUALTLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-16(2)21(18,19)12-4-5-13(15)14(10-12)17(3)11-6-8-20-9-7-11/h4-5,10-11H,6-9,15H2,1-3H3.
What are the key properties of 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide?
4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide has a molecular weight of 313.42 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dimethyl-3-[methyl(oxan-4-yl)amino]benzenesulfonamide is sourced from PubChem (CID 82898941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).