4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide

C11H21N5O2S — CID 106018187

IUPAC4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCC(CN)CC2)cn1
InChIInChI=1S/C11H21N5O2S/c1-15-9-11(7-13-15)8-14-19(17,18)16-4-2-10(6-12)3-5-16/h7,9-10,14H,2-6,8,12H2,1H3
InChIKeyDKSLUKYMECYQRJ-UHFFFAOYSA-N
MW287.39 g/mol
LogP-0.57
Rot. Bonds5

About 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide

4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (PubChem CID 106018187) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
PubChem CID106018187
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC Name4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
SMILESCn1cc(CNS(=O)(=O)N2CCC(CN)CC2)cn1
InChIInChI=1S/C11H21N5O2S/c1-15-9-11(7-13-15)8-14-19(17,18)16-4-2-10(6-12)3-5-16/h7,9-10,14H,2-6,8,12H2,1H3
InChIKeyDKSLUKYMECYQRJ-UHFFFAOYSA-N
XLogP-0.57
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide
CID 106018210
4-(aminomethyl)-N-[(1-methylimidazol-2-yl)methyl]piperidine-1-sulfonamide
CID 106062465
4-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]piperidine-1-sulfonamide
CID 106062053
2-[(1-methylpyrazol-4-yl)methylsulfamoyl]propanoic acid
CID 61457890
N-[(1-methylpyrazol-4-yl)methyl]propane-2-sulfonamide
CID 47373259
1-chloro-N-[(1-methylpyrazol-4-yl)methyl]methanesulfonamide
CID 63665817
4-(aminomethyl)-N-(3-pyrazol-1-ylpropyl)piperidine-1-sulfonamide
CID 106077070
1-(4-methylphenyl)sulfonyl-N-[(1-methylpyrazol-4-yl)methyl]piperidin-4-amine
CID 86772200
4-(aminomethyl)-N-[(1-methylpiperidin-3-yl)methyl]piperidine-1-sulfonamide
CID 106050486
1-(2-aminoethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-sulfonamide
CID 106018180
1-methyl-N-[(1-methylsulfonylpiperidin-4-yl)methyl]pyrazole-4-sulfonamide
CID 71806786
2-methyl-1-[(1-methylpyrazol-4-yl)methyl]-3-[[1-(trifluoromethylsulfonyl)piperidin-4-yl]methyl]guanidine
CID 111559904

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The IUPAC name of 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide (CID 106018187) is 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is Cn1cc(CNS(=O)(=O)N2CCC(CN)CC2)cn1.
What is the InChIKey of 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
The InChIKey is DKSLUKYMECYQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-15-9-11(7-13-15)8-14-19(17,18)16-4-2-10(6-12)3-5-16/h7,9-10,14H,2-6,8,12H2,1H3.
What are the key properties of 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide?
4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of -0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(1-methylpyrazol-4-yl)methyl]piperidine-1-sulfonamide is sourced from PubChem (CID 106018187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).