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

C14H23N3O3S — CID 82899863

IUPAC4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCC2CCCOC2)c1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(18,19)12-5-6-13(15)14(8-12)16-9-11-4-3-7-20-10-11/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3
InChIKeyGHHANUDZPRUUNQ-UHFFFAOYSA-N
MW313.42 g/mol
LogP1.36
Rot. Bonds5

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

4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide (PubChem CID 82899863) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
PubChem CID82899863
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(N)c(NCC2CCCOC2)c1
InChIInChI=1S/C14H23N3O3S/c1-17(2)21(18,19)12-5-6-13(15)14(8-12)16-9-11-4-3-7-20-10-11/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3
InChIKeyGHHANUDZPRUUNQ-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

4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-(oxan-3-ylmethylamino)-3-(trifluoromethylsulfonyl)benzenesulfonamide
CID 166652666
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
2-methyl-3-(oxan-3-ylmethylamino)benzenesulfonamide
CID 55242224
5-nitro-2-(oxan-3-ylmethylamino)benzonitrile
CID 47292423
4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
2,4-dinitro-N-(oxan-3-ylmethyl)aniline
CID 47292421
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide (CID 82899863) is 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(N)c(NCC2CCCOC2)c1.
What is the InChIKey of 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
The InChIKey is GHHANUDZPRUUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-17(2)21(18,19)12-5-6-13(15)14(8-12)16-9-11-4-3-7-20-10-11/h5-6,8,11,16H,3-4,7,9-10,15H2,1-2H3.
What are the key properties of 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide?
4-amino-N,N-dimethyl-3-(oxan-3-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 4-amino-N,N-dimethyl-3-(oxan-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82899863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).