5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide

C12H21N5O2S — CID 61126567

IUPAC5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCN1C2CCC1CC(CNS(=O)(=O)c1cn[nH]c1N)C2
InChIInChI=1S/C12H21N5O2S/c1-17-9-2-3-10(17)5-8(4-9)6-15-20(18,19)11-7-14-16-12(11)13/h7-10,15H,2-6H2,1H3,(H3,13,14,16)
InChIKeyFMJDYWLDWLPVLY-UHFFFAOYSA-N
MW299.40 g/mol
LogP0.14
Rot. Bonds4

About 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61126567) has the molecular formula C12H21N5O2S and a molecular weight of 299.40 g/mol. Its IUPAC name is 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID61126567
Molecular FormulaC12H21N5O2S
Molecular Weight299.40 g/mol
Exact Mass299.14
IUPAC Name5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCN1C2CCC1CC(CNS(=O)(=O)c1cn[nH]c1N)C2
InChIInChI=1S/C12H21N5O2S/c1-17-9-2-3-10(17)5-8(4-9)6-15-20(18,19)11-7-14-16-12(11)13/h7-10,15H,2-6H2,1H3,(H3,13,14,16)
InChIKeyFMJDYWLDWLPVLY-UHFFFAOYSA-N
XLogP0.14
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide with MolForge

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Related Compounds

5-amino-N-(oxan-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 63725060
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CID 63689393
5-amino-N-(thiolan-2-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 80584899
N-[(3-hydroxycyclobutyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 66006522
5-amino-N-(2,2-dimethylpropyl)-1H-pyrazole-4-sulfonamide
CID 61168845
N-[(3-aminocyclopentyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 114146770
5-amino-N-propan-2-yl-1H-pyrazole-4-sulfonamide
CID 60814185
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]ethanesulfonamide
CID 61355216
5-amino-N-[3-(2-methylpiperidin-1-yl)propyl]-1H-pyrazole-4-sulfonamide
CID 60810408
5-methyl-N-(piperidin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 60912088
4-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-2-oxo-3H-1,3-thiazole-5-sulfonamide
CID 61013272
5-amino-N-(3-methylbutan-2-yl)-1H-pyrazole-4-sulfonamide
CID 60810253

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide (CID 61126567) is 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide is CN1C2CCC1CC(CNS(=O)(=O)c1cn[nH]c1N)C2.
What is the InChIKey of 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is FMJDYWLDWLPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2S/c1-17-9-2-3-10(17)5-8(4-9)6-15-20(18,19)11-7-14-16-12(11)13/h7-10,15H,2-6H2,1H3,(H3,13,14,16).
What are the key properties of 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 299.40 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61126567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).