4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide

C11H19N5O2S — CID 107355681

IUPAC4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C11H19N5O2S/c1-13-19(17,18)16-6-4-15(5-7-16)11-3-2-10(8-12)9-14-11/h2-3,9,13H,4-8,12H2,1H3
InChIKeyKDXWTMQYWBDGNE-UHFFFAOYSA-N
MW285.37 g/mol
LogP-0.87
Rot. Bonds4

About 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide

4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide (PubChem CID 107355681) has the molecular formula C11H19N5O2S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
PubChem CID107355681
Molecular FormulaC11H19N5O2S
Molecular Weight285.37 g/mol
Exact Mass285.13
IUPAC Name4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide
SMILESCNS(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1
InChIInChI=1S/C11H19N5O2S/c1-13-19(17,18)16-6-4-15(5-7-16)11-3-2-10(8-12)9-14-11/h2-3,9,13H,4-8,12H2,1H3
InChIKeyKDXWTMQYWBDGNE-UHFFFAOYSA-N
XLogP-0.87
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(aminomethyl)-2-pyridinyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 107355689
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
2-[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-N-methylpropanamide
CID 107355767
[6-(1,1-dioxo-1,4-thiazinan-4-yl)-3-pyridinyl]methanamine
CID 43581088
[6-(4,4-dimethylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62937885
[4-[5-(aminomethyl)-2-pyridinyl]piperazin-1-yl]-(2,2-dimethylcyclopropyl)methanone
CID 107355664
4-[5-(aminomethyl)-2-pyridinyl]-N-butylpiperazine-1-carboxamide
CID 107355691
[methyl-oxo-[4-(5-propyl-2-pyridinyl)piperazin-1-yl]-λ6-sulfanylidene]methanone
CID 142264915
2-methylpropyl 4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 107355702
(6-morpholin-4-yl-3-pyridinyl)methanamine;hydrochloride
CID 44784898
N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-1-sulfonamide
CID 35388805

Frequently Asked Questions

What is the IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide (CID 107355681) is 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide is CNS(=O)(=O)N1CCN(c2ccc(CN)cn2)CC1.
What is the InChIKey of 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide?
The InChIKey is KDXWTMQYWBDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2S/c1-13-19(17,18)16-6-4-15(5-7-16)11-3-2-10(8-12)9-14-11/h2-3,9,13H,4-8,12H2,1H3.
What are the key properties of 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide?
4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of -0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(aminomethyl)-2-pyridinyl]-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 107355681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).