3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

C10H18N4O3S — CID 105357936

IUPAC3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCO2)c(N)nn1C
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)13-14(7)2)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPOIOTFLBTHUZPX-UHFFFAOYSA-N
MW274.35 g/mol
LogP-0.23
Rot. Bonds4

About 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide

3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 105357936) has the molecular formula C10H18N4O3S and a molecular weight of 274.35 g/mol. Its IUPAC name is 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID105357936
Molecular FormulaC10H18N4O3S
Molecular Weight274.35 g/mol
Exact Mass274.11
IUPAC Name3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCO2)c(N)nn1C
InChIInChI=1S/C10H18N4O3S/c1-7-9(10(11)13-14(7)2)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6H2,1-2H3,(H2,11,13)
InChIKeyPOIOTFLBTHUZPX-UHFFFAOYSA-N
XLogP-0.23
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.35
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-1,5-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-4-sulfonamide
CID 105358949
3-amino-1,5-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrazole-4-sulfonamide
CID 105641613
3-amino-N-(3,3-difluoro-2-hydroxypropyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 105641823
3-amino-N-[2-(2,2-difluoroethoxy)ethyl]-1,5-dimethylpyrazole-4-sulfonamide
CID 105905396
1,3-dimethyl-N-(tetrahydrofuran-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 17371563
1,3,5-trimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 19682487
1-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 19682490
1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide
CID 19682491
1,3,5-trimethyl-N-[1-(oxolan-2-yl)ethyl]pyrazole-4-sulfonamide
CID 22201375
1,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 25901959
1,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 25901960
1-ethyl-3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrazole-4-sulfonamide
CID 35764601

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide (CID 105357936) is 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC2CCCO2)c(N)nn1C.
What is the InChIKey of 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is POIOTFLBTHUZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O3S/c1-7-9(10(11)13-14(7)2)18(15,16)12-6-8-4-3-5-17-8/h8,12H,3-6H2,1-2H3,(H2,11,13).
What are the key properties of 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide?
3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 274.35 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,5-dimethyl-N-(oxolan-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 105357936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).