1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine

C16H22N4O2S — CID 119109823

IUPAC1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccn[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,20-10-2-1-3-11-20)16-6-4-14(5-7-16)12-17-13-15-8-9-18-19-15/h4-9,17H,1-3,10-13H2,(H,18,19)
InChIKeyLQTWLSVTLPZTFN-UHFFFAOYSA-N
MW334.45 g/mol
LogP1.87
Rot. Bonds6

About 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine

1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 119109823) has the molecular formula C16H22N4O2S and a molecular weight of 334.45 g/mol. Its IUPAC name is 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID119109823
Molecular FormulaC16H22N4O2S
Molecular Weight334.45 g/mol
Exact Mass334.15
IUPAC Name1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESO=S(=O)(c1ccc(CNCc2ccn[nH]2)cc1)N1CCCCC1
InChIInChI=1S/C16H22N4O2S/c21-23(22,20-10-2-1-3-11-20)16-6-4-14(5-7-16)12-17-13-15-8-9-18-19-15/h4-9,17H,1-3,10-13H2,(H,18,19)
InChIKeyLQTWLSVTLPZTFN-UHFFFAOYSA-N
XLogP1.87
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]methanesulfonamide
CID 55530270
1-(4-chlorophenyl)sulfonyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 100659038
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
CID 112801703
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N-(imidazo[1,2-a]pyridin-3-ylmethyl)-1-(4-piperidin-1-ylsulfonylphenyl)methanamine
CID 87021417
1-[4-[3-(4-piperidin-1-ylsulfonylphenyl)propyl]phenyl]sulfonylpiperidine
CID 124779418
4-bromo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]benzenesulfonamide
CID 17248777
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylaniline
CID 110826196
2-[(4-methylphenyl)methylamino]-1-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 110824134
2,2-dimethyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]propanamide
CID 51198880
2-oxo-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-2-pyrrolidin-1-ylacetamide
CID 17248916
2-cyclopentyl-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 51197507

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 119109823) is 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine is O=S(=O)(c1ccc(CNCc2ccn[nH]2)cc1)N1CCCCC1.
What is the InChIKey of 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is LQTWLSVTLPZTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2S/c21-23(22,20-10-2-1-3-11-20)16-6-4-14(5-7-16)12-17-13-15-8-9-18-19-15/h4-9,17H,1-3,10-13H2,(H,18,19).
What are the key properties of 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 334.45 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-1-ylsulfonylphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 119109823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).