N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

C12H23N5O2S — CID 79523252

IUPACN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cnn(C)c2N)C1
InChIInChI=1S/C12H23N5O2S/c1-9-4-10(2)8-17(7-9)20(18,19)15-6-11-5-14-16(3)12(11)13/h5,9-10,15H,4,6-8,13H2,1-3H3
InChIKeyFGIKFVGVLIERFO-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.31
Rot. Bonds4

About N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide

N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (PubChem CID 79523252) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
PubChem CID79523252
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC NameN-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide
SMILESCC1CC(C)CN(S(=O)(=O)NCc2cnn(C)c2N)C1
InChIInChI=1S/C12H23N5O2S/c1-9-4-10(2)8-17(7-9)20(18,19)15-6-11-5-14-16(3)12(11)13/h5,9-10,15H,4,6-8,13H2,1-3H3
InChIKeyFGIKFVGVLIERFO-UHFFFAOYSA-N
XLogP0.31
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The IUPAC name of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide (CID 79523252) is N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is CC1CC(C)CN(S(=O)(=O)NCc2cnn(C)c2N)C1.
What is the InChIKey of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
The InChIKey is FGIKFVGVLIERFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-9-4-10(2)8-17(7-9)20(18,19)15-6-11-5-14-16(3)12(11)13/h5,9-10,15H,4,6-8,13H2,1-3H3.
What are the key properties of N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide?
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-1-methylpyrazol-4-yl)methyl]-3,5-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 79523252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).