1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide

C13H24N4O3S — CID 106076320

IUPAC1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCN)c(C)c1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H24N4O3S/c1-9-13(10(2)17(15-9)7-4-6-14)21(18,19)16-12-5-8-20-11(12)3/h11-12,16H,4-8,14H2,1-3H3
InChIKeyASXLNHNZROLVEO-UHFFFAOYSA-N
MW316.43 g/mol
LogP0.30
Rot. Bonds6

About 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide

1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 106076320) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID106076320
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC Name1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide
SMILESCc1nn(CCCN)c(C)c1S(=O)(=O)NC1CCOC1C
InChIInChI=1S/C13H24N4O3S/c1-9-13(10(2)17(15-9)7-4-6-14)21(18,19)16-12-5-8-20-11(12)3/h11-12,16H,4-8,14H2,1-3H3
InChIKeyASXLNHNZROLVEO-UHFFFAOYSA-N
XLogP0.30
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-aminopropyl)-N-(4-methoxybutyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106054114
1-(3-hydroxypropyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551679
1-(2-aminoethyl)-N-(cyclopentylmethyl)-3,5-dimethylpyrazole-4-sulfonamide
CID 106026848
1-(2-hydroxyethyl)-3,5-dimethyl-N-(3-methylcyclopentyl)pyrazole-4-sulfonamide
CID 114551680
3-amino-N-(2-methyloxolan-3-yl)-1-propylpyrazole-4-sulfonamide
CID 82725524
4-amino-2,6-dibromo-N-(2-methyloxolan-3-yl)benzenesulfonamide
CID 82725622
3-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-methyloxolane
CID 82726272
3,5-dimethyl-N-[2-(3-methylimidazol-4-yl)oxan-4-yl]-1-(2-methylpropyl)pyrazole-4-sulfonamide
CID 129005299
3,5-dimethyl-1-[3-(oxolan-2-yl)propyl]pyrazole-4-sulfonyl chloride
CID 65165875
1-(3-aminopropyl)-N,3,5-trimethyl-N-(2-methylsulfanylethyl)pyrazole-4-sulfonamide
CID 115988244
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
1-(2-hydroxyethyl)-3,5-dimethyl-N-(2,2,3,3-tetramethylcyclopropyl)pyrazole-4-sulfonamide
CID 79359859

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide (CID 106076320) is 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide is Cc1nn(CCCN)c(C)c1S(=O)(=O)NC1CCOC1C.
What is the InChIKey of 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is ASXLNHNZROLVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-9-13(10(2)17(15-9)7-4-6-14)21(18,19)16-12-5-8-20-11(12)3/h11-12,16H,4-8,14H2,1-3H3.
What are the key properties of 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide?
1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 316.43 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3,5-dimethyl-N-(2-methyloxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 106076320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).