3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide

C9H16N4O2S2 — CID 60808304

IUPAC3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H16N4O2S2/c1-12-5-8(9(10)11-12)17(14,15)13(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyFECRTRZBZGLQOA-UHFFFAOYSA-N
MW276.39 g/mol
LogP0.13
Rot. Bonds3

About 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide

3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 60808304) has the molecular formula C9H16N4O2S2 and a molecular weight of 276.39 g/mol. Its IUPAC name is 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
PubChem CID60808304
Molecular FormulaC9H16N4O2S2
Molecular Weight276.39 g/mol
Exact Mass276.07
IUPAC Name3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide
SMILESCN(C1CCSC1)S(=O)(=O)c1cn(C)nc1N
InChIInChI=1S/C9H16N4O2S2/c1-12-5-8(9(10)11-12)17(14,15)13(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H2,10,11)
InChIKeyFECRTRZBZGLQOA-UHFFFAOYSA-N
XLogP0.13
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1-ethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106434
3-amino-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61106435
3-amino-N-propan-2-yl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61107859
3-amino-1-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61108042
3-amino-1-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61108044
3-amino-1-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61109764
3-(Difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide
CID 61132906
3-amino-N-ethyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61602903
3-amino-N-cyclopropyl-1-propyl-N-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 61602907
3-amino-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65533997
3-amino-N-methyl-1-propyl-N-(3,3,3-trifluoropropyl)pyrazole-4-sulfonamide
CID 65535356
1-Methyl-3-(4,4,4-trifluorobutylsulfonylamino)pyrazole-4-sulfonamide
CID 83047283

Frequently Asked Questions

What is the IUPAC name of 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide (CID 60808304) is 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide is CN(C1CCSC1)S(=O)(=O)c1cn(C)nc1N.
What is the InChIKey of 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is FECRTRZBZGLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S2/c1-12-5-8(9(10)11-12)17(14,15)13(2)7-3-4-16-6-7/h5,7H,3-4,6H2,1-2H3,(H2,10,11).
What are the key properties of 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide?
3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 276.39 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,1-dimethyl-N-(thiolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 60808304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).