N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide

C13H24N4O2S — CID 91828512

IUPACN,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4O2S/c1-16(2)20(18,19)11-3-8-17-9-5-12(6-10-17)13-4-7-14-15-13/h4,7,12H,3,5-6,8-11H2,1-2H3,(H,14,15)
InChIKeyAPXBAJJSSRTBMY-UHFFFAOYSA-N
MW300.43 g/mol
LogP0.87
Rot. Bonds6

About N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide

N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide (PubChem CID 91828512) has the molecular formula C13H24N4O2S and a molecular weight of 300.43 g/mol. Its IUPAC name is N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide
PubChem CID91828512
Molecular FormulaC13H24N4O2S
Molecular Weight300.43 g/mol
Exact Mass300.16
IUPAC NameN,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide
SMILESCN(C)S(=O)(=O)CCCN1CCC(c2ccn[nH]2)CC1
InChIInChI=1S/C13H24N4O2S/c1-16(2)20(18,19)11-3-8-17-9-5-12(6-10-17)13-4-7-14-15-13/h4,7,12H,3,5-6,8-11H2,1-2H3,(H,14,15)
InChIKeyAPXBAJJSSRTBMY-UHFFFAOYSA-N
XLogP0.87
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide?
The IUPAC name of N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide (CID 91828512) is N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide.
What is the SMILES notation for N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide?
The canonical SMILES for N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide is CN(C)S(=O)(=O)CCCN1CCC(c2ccn[nH]2)CC1.
What is the InChIKey of N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide?
The InChIKey is APXBAJJSSRTBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2S/c1-16(2)20(18,19)11-3-8-17-9-5-12(6-10-17)13-4-7-14-15-13/h4,7,12H,3,5-6,8-11H2,1-2H3,(H,14,15).
What are the key properties of N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide?
N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide has a molecular weight of 300.43 g/mol, XLogP of 0.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propane-1-sulfonamide is sourced from PubChem (CID 91828512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).