4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide

C15H27N3O2S — CID 82902002

IUPAC4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCC(CC)(CC)Nc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H27N3O2S/c1-6-15(7-2,8-3)17-14-11-12(9-10-13(14)16)21(19,20)18(4)5/h9-11,17H,6-8,16H2,1-5H3
InChIKeyWKYSRSODXIMYSX-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.90
Rot. Bonds7

About 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide

4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide (PubChem CID 82902002) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
PubChem CID82902002
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide
SMILESCCC(CC)(CC)Nc1cc(S(=O)(=O)N(C)C)ccc1N
InChIInChI=1S/C15H27N3O2S/c1-6-15(7-2,8-3)17-14-11-12(9-10-13(14)16)21(19,20)18(4)5/h9-11,17H,6-8,16H2,1-5H3
InChIKeyWKYSRSODXIMYSX-UHFFFAOYSA-N
XLogP2.90
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-[(2-hydroxy-2-methylpropyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82900510
4-amino-N,N-dimethyl-3-(pentylamino)benzenesulfonamide
CID 82899819
4-amino-3-(2-hydroxyethylamino)-N,N-dimethylbenzenesulfonamide
CID 82899068
4-amino-3-[2-(diethylamino)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82900124
4-amino-3-[2-(methanesulfonamido)ethylamino]-N,N-dimethylbenzenesulfonamide
CID 82899992
4-amino-3-(3-methylpentan-3-ylamino)benzenesulfonamide
CID 114174106
4-amino-3-[(2-ethyl-4-hydroxybutyl)amino]-N,N-dimethylbenzenesulfonamide
CID 82902467
4-amino-N,N-dimethyl-3-(3-propoxypropylamino)benzenesulfonamide
CID 82942122
4-amino-3-(3-methoxypropylamino)-N,N-dimethylbenzenesulfonamide
CID 82898353
4-amino-3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-N-ethylbenzenesulfonamide
CID 107845638
4-amino-3-(dicyclopropylmethylamino)-N,N-dimethylbenzenesulfonamide
CID 82898396
4-amino-N,N-dimethyl-3-(1,2-oxazol-3-ylmethylamino)benzenesulfonamide
CID 82900882

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide (CID 82902002) is 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide is CCC(CC)(CC)Nc1cc(S(=O)(=O)N(C)C)ccc1N.
What is the InChIKey of 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
The InChIKey is WKYSRSODXIMYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-15(7-2,8-3)17-14-11-12(9-10-13(14)16)21(19,20)18(4)5/h9-11,17H,6-8,16H2,1-5H3.
What are the key properties of 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide?
4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide has a molecular weight of 313.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(3-ethylpentan-3-ylamino)-N,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 82902002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).