N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide

C11H21N5O2S — CID 104592934

IUPACN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2nn(C)cc2CN)C1
InChIInChI=1S/C11H21N5O2S/c1-9-4-3-5-16(7-9)19(17,18)14-11-10(6-12)8-15(2)13-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyGSMXKACKXXLYEF-UHFFFAOYSA-N
MW287.39 g/mol
LogP0.27
Rot. Bonds4

About N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide

N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide (PubChem CID 104592934) has the molecular formula C11H21N5O2S and a molecular weight of 287.39 g/mol. Its IUPAC name is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
PubChem CID104592934
Molecular FormulaC11H21N5O2S
Molecular Weight287.39 g/mol
Exact Mass287.14
IUPAC NameN-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide
SMILESCC1CCCN(S(=O)(=O)Nc2nn(C)cc2CN)C1
InChIInChI=1S/C11H21N5O2S/c1-9-4-3-5-16(7-9)19(17,18)14-11-10(6-12)8-15(2)13-11/h8-9H,3-7,12H2,1-2H3,(H,13,14)
InChIKeyGSMXKACKXXLYEF-UHFFFAOYSA-N
XLogP0.27
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(aminomethyl)-2-pyridinyl]-3-methylpiperidine-1-sulfonamide
CID 62354332
N-[2-(aminomethyl)-3-methylphenyl]-3-methylpiperidine-1-sulfonamide
CID 107802306
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylpiperidine-1-sulfonamide
CID 104620870
1-methyl-3-(pyrrolidin-1-ylsulfonylamino)pyrazole-4-sulfonamide
CID 61131751
N-(3-amino-4-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 79768125
N-(6-fluoro-3-pyridinyl)-3-methylpiperidine-1-sulfonamide
CID 103777926
3-methyl-N-[2-[(3-methylpiperidin-1-yl)sulfonylamino]ethyl]piperidine-1-sulfonamide
CID 46595803
methyl 2-[4-[(3-methylpiperidin-1-yl)sulfonylamino]pyrazol-1-yl]acetate
CID 61017743
N-(4-amino-3-bromophenyl)-3-methylpiperidine-1-sulfonamide
CID 82861668
5-[(3-methylpiperidin-1-yl)sulfonylamino]pyridine-3-carboxylic acid
CID 63154396
N-(2-amino-6-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 43330087
N-(2-amino-5-methylphenyl)-3-methylpiperidine-1-sulfonamide
CID 112557529

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide?
The IUPAC name of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide (CID 104592934) is N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide is CC1CCCN(S(=O)(=O)Nc2nn(C)cc2CN)C1.
What is the InChIKey of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide?
The InChIKey is GSMXKACKXXLYEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2S/c1-9-4-3-5-16(7-9)19(17,18)14-11-10(6-12)8-15(2)13-11/h8-9H,3-7,12H2,1-2H3,(H,13,14).
What are the key properties of N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide?
N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-1-methylpyrazol-3-yl]-3-methylpiperidine-1-sulfonamide is sourced from PubChem (CID 104592934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).