3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

C12H23N5O2S — CID 106016068

IUPAC3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C12H23N5O2S/c1-2-13-6-11-4-3-5-17(10-11)20(18,19)16-9-12-7-14-15-8-12/h7-8,11,13,16H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyQDWPKIRRASDKCL-UHFFFAOYSA-N
MW301.42 g/mol
LogP0.07
Rot. Bonds7

About 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide

3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (PubChem CID 106016068) has the molecular formula C12H23N5O2S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.

Molecular Properties

Compound Name3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
PubChem CID106016068
Molecular FormulaC12H23N5O2S
Molecular Weight301.42 g/mol
Exact Mass301.16
IUPAC Name3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
SMILESCCNCC1CCCN(S(=O)(=O)NCc2cn[nH]c2)C1
InChIInChI=1S/C12H23N5O2S/c1-2-13-6-11-4-3-5-17(10-11)20(18,19)16-9-12-7-14-15-8-12/h7-8,11,13,16H,2-6,9-10H2,1H3,(H,14,15)
InChIKeyQDWPKIRRASDKCL-UHFFFAOYSA-N
XLogP0.07
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(propylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106015942
3-(ethylaminomethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106383946
3-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)piperidine-1-sulfonamide
CID 106013521
N-(1-cyclopropylbutan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106063963
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]methanamine
CID 167911154
3-(hydroxymethyl)-N-(1H-pyrazol-4-yl)piperidine-1-sulfonamide
CID 114133715
4-(ethylaminomethyl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106015085
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide
CID 106016123
3-(ethylaminomethyl)-N-(thian-2-ylmethyl)piperidine-1-sulfonamide
CID 106072219
3-(methylaminomethyl)-N-(pyridin-3-ylmethyl)piperidine-1-sulfonamide
CID 106030813
N-(1-ethoxypropan-2-yl)-3-(ethylaminomethyl)piperidine-1-sulfonamide
CID 106054302
N-[(4-chlorophenyl)methyl]-3-(methylaminomethyl)piperidine-1-sulfonamide
CID 106023332

Frequently Asked Questions

What is the IUPAC name of 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The IUPAC name of 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide (CID 106016068) is 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide.
What is the SMILES notation for 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The canonical SMILES for 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is CCNCC1CCCN(S(=O)(=O)NCc2cn[nH]c2)C1.
What is the InChIKey of 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
The InChIKey is QDWPKIRRASDKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2S/c1-2-13-6-11-4-3-5-17(10-11)20(18,19)16-9-12-7-14-15-8-12/h7-8,11,13,16H,2-6,9-10H2,1H3,(H,14,15).
What are the key properties of 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide?
3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide has a molecular weight of 301.42 g/mol, XLogP of 0.07, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)piperidine-1-sulfonamide is sourced from PubChem (CID 106016068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).