N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

C13H26N4O3S — CID 107455994

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H26N4O3S/c1-13(2,11-16(3)4)10-15-21(19,20)12-8-14-17(9-12)6-5-7-18/h8-9,15,18H,5-7,10-11H2,1-4H3
InChIKeyVXXIYKXYDVVJBR-UHFFFAOYSA-N
MW318.44 g/mol
LogP0.13
Rot. Bonds9

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (PubChem CID 107455994) has the molecular formula C13H26N4O3S and a molecular weight of 318.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
PubChem CID107455994
Molecular FormulaC13H26N4O3S
Molecular Weight318.44 g/mol
Exact Mass318.17
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide
SMILESCN(C)CC(C)(C)CNS(=O)(=O)c1cnn(CCCO)c1
InChIInChI=1S/C13H26N4O3S/c1-13(2,11-16(3)4)10-15-21(19,20)12-8-14-17(9-12)6-5-7-18/h8-9,15,18H,5-7,10-11H2,1-4H3
InChIKeyVXXIYKXYDVVJBR-UHFFFAOYSA-N
XLogP0.13
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxyethyl)-N-(2-methyl-2-methylsulfanylpropyl)pyrazole-4-sulfonamide
CID 114135493
1-(3-hydroxypropyl)-N-[(1-methylsulfanylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 106002272
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(hydroxymethyl)-1-methylpyrrole-3-sulfonamide
CID 107460565
N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-(2-hydroxyethyl)benzenesulfonamide
CID 107442691
3-[4-(4-hydroxybutylsulfamoyl)pyrazol-1-yl]propanoic acid
CID 106840456
4-[[3-(dimethylamino)-2,2-dimethylpropyl]sulfamoyl]benzoic acid
CID 29293310
1-(2-hydroxyethyl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrazole-4-sulfonamide
CID 79357659
3-[4-[(2-ethyl-2-hydroxybutyl)sulfamoyl]pyrazol-1-yl]propanoic acid
CID 65105497
1-(3-hydroxypropyl)-N-[(3-methylcyclohexyl)methyl]pyrazole-4-sulfonamide
CID 106001022
2-[4-(2,2-dimethylpropylsulfamoyl)pyrazol-1-yl]acetic acid
CID 61166844
1-(2-hydroxyethyl)-N-(3-methylpentan-3-yl)pyrazole-4-sulfonamide
CID 106331651
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-hydrazinylpyrimidine-5-sulfonamide
CID 61329687

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide (CID 107455994) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is CN(C)CC(C)(C)CNS(=O)(=O)c1cnn(CCCO)c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
The InChIKey is VXXIYKXYDVVJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O3S/c1-13(2,11-16(3)4)10-15-21(19,20)12-8-14-17(9-12)6-5-7-18/h8-9,15,18H,5-7,10-11H2,1-4H3.
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 0.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(3-hydroxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 107455994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).