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

C12H15N3O3S — CID 106593879

IUPAC2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1CN)c1ccco1
InChIInChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)12-5-2-6-14-10(12)8-13/h2-7,9,15H,8,13H2,1H3
InChIKeySSRUXZDPUXIFHJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP1.17
Rot. Bonds5

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

2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide (PubChem CID 106593879) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
PubChem CID106593879
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC Name2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cccnc1CN)c1ccco1
InChIInChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)12-5-2-6-14-10(12)8-13/h2-7,9,15H,8,13H2,1H3
InChIKeySSRUXZDPUXIFHJ-UHFFFAOYSA-N
XLogP1.17
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(furan-2-yl)ethyl]-2-(propylamino)pyridine-3-sulfonamide
CID 62145541
2-(aminomethyl)-N-hexan-3-ylpyridine-3-sulfonamide
CID 106594380
2-bromo-N-[(1R)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817630
2-(aminomethyl)-N-(3-methyl-2-propan-2-ylbutyl)pyridine-3-sulfonamide
CID 106595040
5-(aminomethyl)-N-[1-(furan-2-yl)ethyl]thiophene-2-sulfonamide
CID 43535864
N-[(1R)-1-(furan-2-yl)ethyl]ethanesulfonamide
CID 81400303
2-(aminomethyl)-N-octan-4-ylpyridine-3-sulfonamide
CID 106024236
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
(3-ethylsulfonyl-2-pyridinyl)methanamine
CID 146050328
2,3,4-trifluoro-N-[(1S)-1-(furan-2-yl)ethyl]benzenesulfonamide
CID 8817589
4-amino-2-chloro-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 43535601
4-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzenesulfonamide
CID 62147659

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide (CID 106593879) is 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide is CC(NS(=O)(=O)c1cccnc1CN)c1ccco1.
What is the InChIKey of 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
The InChIKey is SSRUXZDPUXIFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-9(11-4-3-7-18-11)15-19(16,17)12-5-2-6-14-10(12)8-13/h2-7,9,15H,8,13H2,1H3.
What are the key properties of 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide?
2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide has a molecular weight of 281.34 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[1-(furan-2-yl)ethyl]pyridine-3-sulfonamide is sourced from PubChem (CID 106593879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).