4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide

C13H25N5O2S — CID 106106639

IUPAC4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2ccn(C)n2)CC1
InChIInChI=1S/C13H25N5O2S/c1-14-11-12-4-9-18(10-5-12)21(19,20)15-7-3-13-6-8-17(2)16-13/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3
InChIKeySMEUYGCNOALCPI-UHFFFAOYSA-N
MW315.44 g/mol
LogP-0.27
Rot. Bonds7

About 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide

4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide (PubChem CID 106106639) has the molecular formula C13H25N5O2S and a molecular weight of 315.44 g/mol. Its IUPAC name is 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
PubChem CID106106639
Molecular FormulaC13H25N5O2S
Molecular Weight315.44 g/mol
Exact Mass315.17
IUPAC Name4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide
SMILESCNCC1CCN(S(=O)(=O)NCCc2ccn(C)n2)CC1
InChIInChI=1S/C13H25N5O2S/c1-14-11-12-4-9-18(10-5-12)21(19,20)15-7-3-13-6-8-17(2)16-13/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3
InChIKeySMEUYGCNOALCPI-UHFFFAOYSA-N
XLogP-0.27
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 ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(methylaminomethyl)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-1-sulfonamide
CID 106064163
4-(methylaminomethyl)-N-(2-thiophen-3-ylethyl)piperidine-1-sulfonamide
CID 106050085
N-[2-(1-methylpyrazol-3-yl)ethyl]ethanesulfonamide
CID 104626606
N-(2,2-dimethylbutyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 103465953
4-(methylaminomethyl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-sulfonamide
CID 106014232
N-[2-[ethyl(propyl)amino]ethyl]-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106094248
N-(5-methoxypentyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 106092792
4-(methylaminomethyl)-N-(4-methylsulfanylbutyl)piperidine-1-sulfonamide
CID 106078188
4-(methylaminomethyl)-N-(5-methylsulfanylpentyl)piperidine-1-sulfonamide
CID 106093759
4-(methylaminomethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-sulfonamide
CID 115522886
3-(methylaminomethyl)-N-[2-(1-methylimidazol-2-yl)ethyl]piperidine-1-sulfonamide
CID 106017938
N-(2,2-difluoroethyl)-4-(methylaminomethyl)piperidine-1-sulfonamide
CID 115409174

Frequently Asked Questions

What is the IUPAC name of 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide (CID 106106639) is 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide is CNCC1CCN(S(=O)(=O)NCCc2ccn(C)n2)CC1.
What is the InChIKey of 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide?
The InChIKey is SMEUYGCNOALCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O2S/c1-14-11-12-4-9-18(10-5-12)21(19,20)15-7-3-13-6-8-17(2)16-13/h6,8,12,14-15H,3-5,7,9-11H2,1-2H3.
What are the key properties of 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide?
4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide has a molecular weight of 315.44 g/mol, XLogP of -0.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylaminomethyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106106639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).