2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide

C8H11N7O2S — CID 106594768

IUPAC2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
SMILESCn1nnc(NS(=O)(=O)c2cccnc2CN)n1
InChIInChI=1S/C8H11N7O2S/c1-15-12-8(11-14-15)13-18(16,17)7-3-2-4-10-6(7)5-9/h2-4H,5,9H2,1H3,(H,12,13)
InChIKeyYBLNUNSDPOSKRV-UHFFFAOYSA-N
MW269.29 g/mol
LogP-1.14
Rot. Bonds4

About 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide

2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide (PubChem CID 106594768) has the molecular formula C8H11N7O2S and a molecular weight of 269.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
PubChem CID106594768
Molecular FormulaC8H11N7O2S
Molecular Weight269.29 g/mol
Exact Mass269.07
IUPAC Name2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide
SMILESCn1nnc(NS(=O)(=O)c2cccnc2CN)n1
InChIInChI=1S/C8H11N7O2S/c1-15-12-8(11-14-15)13-18(16,17)7-3-2-4-10-6(7)5-9/h2-4H,5,9H2,1H3,(H,12,13)
InChIKeyYBLNUNSDPOSKRV-UHFFFAOYSA-N
XLogP-1.14
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[({[6-(1h-Tetrazol-5-Yl)pyridin-3-Yl]sulfonyl}amino)methyl]boronic Acid
CID 71519580
N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 668955
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
1-(phenylsulfonyl)-1H-pyrrole-2-carbaldehyde thiosemicarbazone
CID 10870565
N'-(benzenesulfonamido)pyridine-2-carboximidamide
CID 9580411
6-(Aminomethyl)pyridine-3-sulfonamide hydrochloride
CID 156195681
N-methyl-N-[2-(1,2,4-triazol-4-yl)ethyl]-6-(trifluoromethyl)pyridine-3-sulfonamide
CID 84601039
N-cyano-4-[2-[(5-fluoro-2-pyridinyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 171348984
5-methyl-N-[(5-methylpyrazin-2-yl)methyl]-1-phenylpyrazole-4-sulfonamide
CID 172435736
CID 2739051
CID 2739051
N-(cyanomethyl)-4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]benzenesulfonamide
CID 137500040

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide (CID 106594768) is 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide is Cn1nnc(NS(=O)(=O)c2cccnc2CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide?
The InChIKey is YBLNUNSDPOSKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N7O2S/c1-15-12-8(11-14-15)13-18(16,17)7-3-2-4-10-6(7)5-9/h2-4H,5,9H2,1H3,(H,12,13).
What are the key properties of 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide?
2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide has a molecular weight of 269.29 g/mol, XLogP of -1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-methyltetrazol-5-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 106594768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).