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

C8H14N4O2S — CID 102690322

IUPAC1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C8H14N4O2S/c9-7-2-5-12(6-3-7)15(13,14)8-1-4-10-11-8/h1,4,7H,2-3,5-6,9H2,(H,10,11)
InChIKeyKCAUSWQUYMPXBH-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.48
Rot. Bonds2

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

1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine (PubChem CID 102690322) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
PubChem CID102690322
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine
SMILESNC1CCN(S(=O)(=O)c2ccn[nH]2)CC1
InChIInChI=1S/C8H14N4O2S/c9-7-2-5-12(6-3-7)15(13,14)8-1-4-10-11-8/h1,4,7H,2-3,5-6,9H2,(H,10,11)
InChIKeyKCAUSWQUYMPXBH-UHFFFAOYSA-N
XLogP-0.48
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.48
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
1-(1H-pyrazol-5-ylsulfonyl)-4-(2,2,2-trifluoroethyl)piperazine
CID 102691873
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-(5,5,5-trifluoropentyl)-1H-pyrazole-5-sulfonamide
CID 102693247
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107493860
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 107493944
N-propyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-sulfonamide
CID 113725644

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine (CID 102690322) is 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine is NC1CCN(S(=O)(=O)c2ccn[nH]2)CC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
The InChIKey is KCAUSWQUYMPXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c9-7-2-5-12(6-3-7)15(13,14)8-1-4-10-11-8/h1,4,7H,2-3,5-6,9H2,(H,10,11).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine?
1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine has a molecular weight of 230.29 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-amine is sourced from PubChem (CID 102690322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).