N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide

C13H24N4O2S — CID 122565569

IUPACN-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)N(C)CC1CCCNC1
InChIInChI=1S/C13H24N4O2S/c1-3-9-17-13(6-8-15-17)20(18,19)16(2)11-12-5-4-7-14-10-12/h6,8,12,14H,3-5,7,9-11H2,1-2H3
InChIKeyVQKIVJSNGYIOCH-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.91
Rot. Bonds6

About N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide

N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide (PubChem CID 122565569) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
PubChem CID122565569
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide
SMILESCCCn1nccc1S(=O)(=O)N(C)CC1CCCNC1
InChIInChI=1S/C13H24N4O2S/c1-3-9-17-13(6-8-15-17)20(18,19)16(2)11-12-5-4-7-14-10-12/h6,8,12,14H,3-5,7,9-11H2,1-2H3
InChIKeyVQKIVJSNGYIOCH-UHFFFAOYSA-N
XLogP0.91
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The IUPAC name of N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide (CID 122565569) is N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide.
What is the SMILES notation for N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The canonical SMILES for N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide is CCCn1nccc1S(=O)(=O)N(C)CC1CCCNC1.
What is the InChIKey of N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
The InChIKey is VQKIVJSNGYIOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-3-9-17-13(6-8-15-17)20(18,19)16(2)11-12-5-4-7-14-10-12/h6,8,12,14H,3-5,7,9-11H2,1-2H3.
What are the key properties of N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide?
N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(piperidin-3-ylmethyl)-2-propylpyrazole-3-sulfonamide is sourced from PubChem (CID 122565569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).