3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide

C10H19N3O3S2 — CID 115901976

IUPAC3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC(C)S(C)=O
InChIInChI=1S/C10H19N3O3S2/c1-7(17(4)14)5-6-11-18(15,16)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeySRDJOJCFRSSMHQ-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.46
Rot. Bonds6

About 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide (PubChem CID 115901976) has the molecular formula C10H19N3O3S2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
PubChem CID115901976
Molecular FormulaC10H19N3O3S2
Molecular Weight293.41 g/mol
Exact Mass293.09
IUPAC Name3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NCCC(C)S(C)=O
InChIInChI=1S/C10H19N3O3S2/c1-7(17(4)14)5-6-11-18(15,16)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13)
InChIKeySRDJOJCFRSSMHQ-UHFFFAOYSA-N
XLogP0.46
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-(3-methylsulfanylbutyl)-1H-pyrazole-4-sulfonamide
CID 115901933
N-[2-(methanesulfonamido)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43420752
N-(2-chloroethyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 65033381
N-butyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43091242
N-(3-chloro-4-methoxybutyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 106245504
N-[2-(cyclopropylamino)ethyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 62665350
N-hexyl-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43402443
N-[(2R)-2-(ethylamino)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide;hydrochloride
CID 120664979
3,5-dimethyl-N-(2-prop-2-ynylsulfanylethyl)-1H-pyrazole-4-sulfonamide
CID 103914933
2-methyl-N-(3-methylsulfinylbutyl)-1H-imidazole-5-sulfonamide
CID 115897720
3,5-dimethyl-N-[2-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 110368560
N-(5-methoxypentyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 103914904

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide (CID 115901976) is 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NCCC(C)S(C)=O.
What is the InChIKey of 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is SRDJOJCFRSSMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3S2/c1-7(17(4)14)5-6-11-18(15,16)10-8(2)12-13-9(10)3/h7,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 293.41 g/mol, XLogP of 0.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(3-methylsulfinylbutyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 115901976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).