N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine

C9H16N4O2S — CID 102690323

IUPACN-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H16N4O2S/c1-10-8-3-6-13(7-4-8)16(14,15)9-2-5-11-12-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,11,12)
InChIKeyIODPYARDMFBTKK-UHFFFAOYSA-N
MW244.32 g/mol
LogP-0.22
Rot. Bonds3

About N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine

N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine (PubChem CID 102690323) has the molecular formula C9H16N4O2S and a molecular weight of 244.32 g/mol. Its IUPAC name is N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound NameN-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
PubChem CID102690323
Molecular FormulaC9H16N4O2S
Molecular Weight244.32 g/mol
Exact Mass244.10
IUPAC NameN-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
SMILESCNC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C9H16N4O2S/c1-10-8-3-6-13(7-4-8)16(14,15)9-2-5-11-12-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,11,12)
InChIKeyIODPYARDMFBTKK-UHFFFAOYSA-N
XLogP-0.22
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102690607
N-[6-(trifluoromethyl)piperidin-3-yl]-1H-pyrazole-5-sulfonamide
CID 102691080
N-(1-cyclopropylethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692085
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692155
N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692171
N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 102692181
1-(1H-pyrazol-5-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 102692807
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 113725644
1-(1H-pyrazol-5-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 113725769
4,4-difluoro-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 155952046
N-pentan-3-yl-1H-pyrazole-5-sulfonamide
CID 24866163
N,N-dimethyl-1H-pyrazole-3-sulfonamide
CID 66857593

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The IUPAC name of N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine (CID 102690323) is N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine is CNC1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The InChIKey is IODPYARDMFBTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2S/c1-10-8-3-6-13(7-4-8)16(14,15)9-2-5-11-12-9/h2,5,8,10H,3-4,6-7H2,1H3,(H,11,12).
What are the key properties of N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine has a molecular weight of 244.32 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 102690323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).