4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide

C14H25N3O3S — CID 106145672

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-5-16-21(19,20)13-8-6-12(7-9-13)15-10-14(2,18)11-17(3)4/h6-9,15-16,18H,5,10-11H2,1-4H3
InChIKeyMVFZOUIIBNBSIK-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.71
Rot. Bonds8

About 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide (PubChem CID 106145672) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
PubChem CID106145672
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(NCC(C)(O)CN(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-5-16-21(19,20)13-8-6-12(7-9-13)15-10-14(2,18)11-17(3)4/h6-9,15-16,18H,5,10-11H2,1-4H3
InChIKeyMVFZOUIIBNBSIK-UHFFFAOYSA-N
XLogP0.71
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
CID 106145518
4-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzenesulfonamide
CID 104600145
N-ethyl-4-[(4-hydroxy-2,2-dimethylbutyl)amino]benzenesulfonamide
CID 106144652
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]sulfamoyl]benzamide
CID 103838120
N-ethyl-4-(propylamino)benzenesulfonamide
CID 43453948
N-ethyl-4-(3,3,3-trifluoropropylamino)benzenesulfonamide
CID 63226786
N,N,2,2-tetramethyl-N'-(4-propylsulfonylphenyl)propane-1,3-diamine
CID 43453436
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]pyridine-4-sulfonamide
CID 106146436
4-tert-butyl-N-ethylbenzenesulfonamide
CID 846956
3-[4-(ethylsulfamoyl)anilino]-2-hydroxypropanamide
CID 106171016
N-ethyl-4-(5-hydroxypentylamino)benzenesulfonamide
CID 107318094
4-[(3-chloro-2-hydroxypropyl)amino]-N-ethylbenzenesulfonamide
CID 168637442

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide (CID 106145672) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(NCC(C)(O)CN(C)C)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide?
The InChIKey is MVFZOUIIBNBSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-5-16-21(19,20)13-8-6-12(7-9-13)15-10-14(2,18)11-17(3)4/h6-9,15-16,18H,5,10-11H2,1-4H3.
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.71, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N-ethylbenzenesulfonamide is sourced from PubChem (CID 106145672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).