5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde

C11H15N3O3S — CID 135189817

IUPAC5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
SMILESCN1CCN(S(=O)(=O)c2ccc(C=O)nc2)CC1
InChIInChI=1S/C11H15N3O3S/c1-13-4-6-14(7-5-13)18(16,17)11-3-2-10(9-15)12-8-11/h2-3,8-9H,4-7H2,1H3
InChIKeyXCMPNOMCSDEINL-UHFFFAOYSA-N
MW269.33 g/mol
LogP-0.17
Rot. Bonds3

About 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde

5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde (PubChem CID 135189817) has the molecular formula C11H15N3O3S and a molecular weight of 269.33 g/mol. Its IUPAC name is 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
PubChem CID135189817
Molecular FormulaC11H15N3O3S
Molecular Weight269.33 g/mol
Exact Mass269.08
IUPAC Name5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde
SMILESCN1CCN(S(=O)(=O)c2ccc(C=O)nc2)CC1
InChIInChI=1S/C11H15N3O3S/c1-13-4-6-14(7-5-13)18(16,17)11-3-2-10(9-15)12-8-11/h2-3,8-9H,4-7H2,1H3
InChIKeyXCMPNOMCSDEINL-UHFFFAOYSA-N
XLogP-0.17
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268282
1-methyl-4-[(6-phenylsulfanyl-3-pyridinyl)sulfonyl]piperazine
CID 17480565
1-methyl-4,7,10-tris-(4-methylphenyl)sulfonyl-1,4,7,10-tetrazacyclododecane
CID 12035988
N-(3,5-dimethylphenyl)-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 5268226
1-methyl-4-[[6-(2-methylprop-2-enylsulfanyl)-3-pyridinyl]sulfonyl]piperazine
CID 17412610
1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane
CID 2354155
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1-[[6-(4-bromo-2-chlorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 2540560
1-[[6-(2-chloro-4-fluorophenoxy)-3-pyridinyl]sulfonyl]-4-methylpiperazine
CID 4791531
N-[(1-methoxycyclobutyl)methyl]-5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-amine
CID 133459900
1-methyl-4-[4-(4-methylphenyl)phenyl]sulfonylpiperazine
CID 889439
5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-methylsulfonylpiperidin-4-yl)pyridin-2-amine
CID 55519421

Frequently Asked Questions

What is the IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde?
The IUPAC name of 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde (CID 135189817) is 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde.
What is the SMILES notation for 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde?
The canonical SMILES for 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde is CN1CCN(S(=O)(=O)c2ccc(C=O)nc2)CC1.
What is the InChIKey of 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde?
The InChIKey is XCMPNOMCSDEINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3S/c1-13-4-6-14(7-5-13)18(16,17)11-3-2-10(9-15)12-8-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde?
5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde has a molecular weight of 269.33 g/mol, XLogP of -0.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpiperazin-1-yl)sulfonylpyridine-2-carbaldehyde is sourced from PubChem (CID 135189817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).