3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

C11H20N4O2S — CID 28784855

IUPAC3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)15-14-8)18(16,17)13-7-10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyXYZFADMBDHYPTG-JTQLQIEISA-N
MW272.37 g/mol
LogP0.30
Rot. Bonds4

About 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide

3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 28784855) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
PubChem CID28784855
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1CCCNC1
InChIInChI=1S/C11H20N4O2S/c1-8-11(9(2)15-14-8)18(16,17)13-7-10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3,(H,14,15)/t10-/m0/s1
InChIKeyXYZFADMBDHYPTG-JTQLQIEISA-N
XLogP0.30
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide (CID 28784855) is 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H]1CCCNC1.
What is the InChIKey of 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is XYZFADMBDHYPTG-JTQLQIEISA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-8-11(9(2)15-14-8)18(16,17)13-7-10-4-3-5-12-6-10/h10,12-13H,3-7H2,1-2H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide?
3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 272.37 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[[(3S)-piperidin-3-yl]methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 28784855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).