4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide

C13H25N5O2S — CID 106009682

IUPAC4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC(C)Cn2cccn2)CC1
InChIInChI=1S/C13H25N5O2S/c1-12(11-17-7-3-6-15-17)16-21(19,20)18-8-4-13(5-9-18)10-14-2/h3,6-7,12-14,16H,4-5,8-11H2,1-2H3
InChIKeyAIYGSVAPNBIRCP-UHFFFAOYSA-N
MW315.44 g/mol
LogP0.04
Rot. Bonds7

About 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide

4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide (PubChem CID 106009682) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide
PubChem CID106009682
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NC(C)Cn2cccn2)CC1
InChIInChI=1S/C13H25N5O2S/c1-12(11-17-7-3-6-15-17)16-21(19,20)18-8-4-13(5-9-18)10-14-2/h3,6-7,12-14,16H,4-5,8-11H2,1-2H3
InChIKeyAIYGSVAPNBIRCP-UHFFFAOYSA-N
XLogP0.04
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,6S)-2,6-dimethyl-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]morpholine-4-sulfonamide
CID 100845308
4-(methylaminomethyl)-N-pyridazin-3-ylpiperidine-1-sulfonamide
CID 106084219
N-methyl-1-[1-(4-propan-2-ylpiperidin-1-yl)sulfonylpiperidin-4-yl]methanamine
CID 103504277
1-ethylsulfonyl-4-(pyrazol-1-ylmethyl)piperidine
CID 90495378
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 63263322
4-(aminomethyl)-N-pentan-2-ylpiperidine-1-sulfonamide
CID 114140369
1-(cyclopentanecarbonyl)-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]azetidine-3-sulfonamide
CID 97348412
1-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 98798236
1-[(1-ethylpyrrolidin-3-yl)methyl]-3-(1-pyrazol-1-ylpropan-2-yl)urea
CID 71893143
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
4-chloro-N-(1-pyrazol-1-ylpropan-2-yl)butane-1-sulfonamide
CID 116815471

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide (CID 106009682) is 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NC(C)Cn2cccn2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide?
The InChIKey is AIYGSVAPNBIRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-12(11-17-7-3-6-15-17)16-21(19,20)18-8-4-13(5-9-18)10-14-2/h3,6-7,12-14,16H,4-5,8-11H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-(1-pyrazol-1-ylpropan-2-yl)piperidine-1-sulfonamide is sourced from PubChem (CID 106009682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).