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

C14H25N3O3S — CID 106145518

IUPAC4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)CC(C)(O)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-14(18,11-16(2)3)10-15-12-6-8-13(9-7-12)21(19,20)17(4)5/h6-9,15,18H,10-11H2,1-5H3
InChIKeyWMWBARJHCAIWTG-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.66
Rot. Bonds7

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

4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide (PubChem CID 106145518) 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,N-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
PubChem CID106145518
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC Name4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide
SMILESCN(C)CC(C)(O)CNc1ccc(S(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H25N3O3S/c1-14(18,11-16(2)3)10-15-12-6-8-13(9-7-12)21(19,20)17(4)5/h6-9,15,18H,10-11H2,1-5H3
InChIKeyWMWBARJHCAIWTG-UHFFFAOYSA-N
XLogP0.66
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Methylamino)benzene-1-sulfonamide
CID 14612854
4-(Piperazin-1-yl)benzene-1-sulfonamide
CID 901897
4-amino-N-ethyl-N-phenylbenzenesulfonamide
CID 833589
Acetamide, N-[4-[(dimethylamino)sulfonyl]phenyl]-
CID 97278
4-(Prop-2-yn-1-ylamino)benzenesulfonamide
CID 10512636
N-{4-[Methyl-(1-methyl-piperidin-4-yl)-sulfamoyl]-phenyl}-acetamide
CID 673038
Acetanilide, 4'-(bis(2-hydroxyethyl)sulfamoyl)-
CID 97561
2-(4-Acetamidobenzenesulfonamido)acetic acid
CID 271680
Piperazine moiety, 5
CID 57339812
{4-[Bis-(2-hydroxy-ethyl)-sulfamoyl]-phenyl}-carbamic acid methyl ester
CID 787151
4-(Allylamino)Benzenesulfonamide
CID 62141270
4-(2-Fluoropropylamino)Benzenesulfonamide
CID 71578980

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide?
The IUPAC name of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide (CID 106145518) is 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide?
The canonical SMILES for 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide is CN(C)CC(C)(O)CNc1ccc(S(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide?
The InChIKey is WMWBARJHCAIWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-14(18,11-16(2)3)10-15-12-6-8-13(9-7-12)21(19,20)17(4)5/h6-9,15,18H,10-11H2,1-5H3.
What are the key properties of 4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide?
4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-N,N-dimethylbenzenesulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.66, 7 rotatable bonds, 2 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,N-dimethylbenzenesulfonamide is sourced from PubChem (CID 106145518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).