N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide

C9H17N3O3S — CID 106043862

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)C(C)CO)cnn1C
InChIInChI=1S/C9H17N3O3S/c1-7(6-13)16(14,15)11-5-9-4-10-12(3)8(9)2/h4,7,11,13H,5-6H2,1-3H3
InChIKeyOLIUVEXOYZGWIB-UHFFFAOYSA-N
MW247.32 g/mol
LogP-0.47
Rot. Bonds5

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide (PubChem CID 106043862) has the molecular formula C9H17N3O3S and a molecular weight of 247.32 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
PubChem CID106043862
Molecular FormulaC9H17N3O3S
Molecular Weight247.32 g/mol
Exact Mass247.10
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide
SMILESCc1c(CNS(=O)(=O)C(C)CO)cnn1C
InChIInChI=1S/C9H17N3O3S/c1-7(6-13)16(14,15)11-5-9-4-10-12(3)8(9)2/h4,7,11,13H,5-6H2,1-3H3
InChIKeyOLIUVEXOYZGWIB-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 22209446
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2,3,4,5,6-pentamethylbenzenesulfonamide
CID 22209434
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylbutanamide
CID 106047225
1-[(1,5-dimethylpyrazol-4-yl)methylamino]ethanol
CID 155693973
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylbenzenesulfonamide
CID 19577878
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-(propan-2-ylamino)butane-1-sulfonamide
CID 106094917
N-[(5-amino-1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 79524212
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 106043704
4-[(1,5-dimethylpyrazol-4-yl)methylsulfamoyl]butanoic acid
CID 106032725
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 106044659
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide (CID 106043862) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide is Cc1c(CNS(=O)(=O)C(C)CO)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide?
The InChIKey is OLIUVEXOYZGWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O3S/c1-7(6-13)16(14,15)11-5-9-4-10-12(3)8(9)2/h4,7,11,13H,5-6H2,1-3H3.
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide has a molecular weight of 247.32 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-hydroxypropane-2-sulfonamide is sourced from PubChem (CID 106043862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).