N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine

C11H20N4O2S — CID 102690331

IUPACN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(12-2)10-5-3-4-8-15(10)18(16,17)11-6-7-13-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyLZCUPKYXGYSDMD-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.56
Rot. Bonds4

About N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine

N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine (PubChem CID 102690331) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
PubChem CID102690331
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC NameN-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine
SMILESCNC(C)C1CCCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C11H20N4O2S/c1-9(12-2)10-5-3-4-8-15(10)18(16,17)11-6-7-13-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,13,14)
InChIKeyLZCUPKYXGYSDMD-UHFFFAOYSA-N
XLogP0.56
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1H-pyrazol-5-ylsulfonyl)piperidine-2-carbothioamide
CID 102691211
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-4-yl]ethanamine
CID 102690328
1-[1-(benzenesulfonyl)piperidin-2-yl]-N-methylethanamine
CID 55256671
N-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-2-yl]ethanamine
CID 55256669
3-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]propanoic acid
CID 102690769
N-methyl-2-[1-(methylamino)ethyl]piperidine-1-sulfonamide
CID 114803152
1-[1-(2,5-dichlorothiophen-3-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63854549
1-[1-(1-ethyl-2-methylimidazol-4-yl)sulfonylpiperidin-2-yl]-N-methylethanamine
CID 63852803
1-(1-benzylsulfonylpiperidin-2-yl)-N-methylethanamine
CID 63854206
4-piperidin-1-yl-1-(1H-pyrazol-5-ylsulfonyl)piperidine
CID 102692305
(3S)-1-(1H-pyrazol-5-ylsulfonyl)pyrrolidin-3-amine
CID 102693661
1-[1-(1H-imidazol-5-ylsulfonyl)piperidin-2-yl]ethanamine;hydrochloride
CID 119965400

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine?
The IUPAC name of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine (CID 102690331) is N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine?
The canonical SMILES for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine is CNC(C)C1CCCCN1S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine?
The InChIKey is LZCUPKYXGYSDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-9(12-2)10-5-3-4-8-15(10)18(16,17)11-6-7-13-14-11/h6-7,9-10,12H,3-5,8H2,1-2H3,(H,13,14).
What are the key properties of N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine?
N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine has a molecular weight of 272.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(1H-pyrazol-5-ylsulfonyl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 102690331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).