2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide

C12H17N5O2S — CID 106594742

IUPAC2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2cccnc2CN)cn1
InChIInChI=1S/C12H17N5O2S/c1-17-9-10(8-15-17)4-6-16-20(18,19)12-3-2-5-14-11(12)7-13/h2-3,5,8-9,16H,4,6-7,13H2,1H3
InChIKeyLUTLDZKGSAKLQN-UHFFFAOYSA-N
MW295.37 g/mol
LogP-0.21
Rot. Bonds6

About 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide

2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106594742) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106594742
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide
SMILESCn1cc(CCNS(=O)(=O)c2cccnc2CN)cn1
InChIInChI=1S/C12H17N5O2S/c1-17-9-10(8-15-17)4-6-16-20(18,19)12-3-2-5-14-11(12)7-13/h2-3,5,8-9,16H,4,6-7,13H2,1H3
InChIKeyLUTLDZKGSAKLQN-UHFFFAOYSA-N
XLogP-0.21
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(aminomethyl)-2-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 106997056
N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235671
2-(aminomethyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-sulfonamide
CID 106594474
2,4-dibromo-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47305787
3-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80681451
2-(aminomethyl)-N-[(1-ethylcyclopropyl)methyl]pyridine-3-sulfonamide
CID 114099734
2-(aminomethyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-3-sulfonamide
CID 107163426
2-bromo-4-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 47235685
3-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-2,3-diamine
CID 104540597
2-(aminomethyl)-N-(2-ethoxyethyl)pyridine-3-sulfonamide
CID 106593983
4-(ethylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 80685575
2-(aminomethyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]pyridine-3-sulfonamide
CID 106594462

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide (CID 106594742) is 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide is Cn1cc(CCNS(=O)(=O)c2cccnc2CN)cn1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is LUTLDZKGSAKLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-17-9-10(8-15-17)4-6-16-20(18,19)12-3-2-5-14-11(12)7-13/h2-3,5,8-9,16H,4,6-7,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 295.37 g/mol, XLogP of -0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106594742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).