N-(3-amino-2-pyridinyl)ethanesulfinamide

C7H11N3OS — CID 127015630

IUPACN-(3-amino-2-pyridinyl)ethanesulfinamide
SMILESCCS(=O)Nc1ncccc1N
InChIInChI=1S/C7H11N3OS/c1-2-12(11)10-7-6(8)4-3-5-9-7/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyLUJSMMCDMVRULH-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.76
Rot. Bonds3

About N-(3-amino-2-pyridinyl)ethanesulfinamide

N-(3-amino-2-pyridinyl)ethanesulfinamide (PubChem CID 127015630) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is N-(3-amino-2-pyridinyl)ethanesulfinamide.

Molecular Properties

Compound NameN-(3-amino-2-pyridinyl)ethanesulfinamide
PubChem CID127015630
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC NameN-(3-amino-2-pyridinyl)ethanesulfinamide
SMILESCCS(=O)Nc1ncccc1N
InChIInChI=1S/C7H11N3OS/c1-2-12(11)10-7-6(8)4-3-5-9-7/h3-5H,2,8H2,1H3,(H,9,10)
InChIKeyLUJSMMCDMVRULH-UHFFFAOYSA-N
XLogP0.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-pyridinyl)ethanesulfinamide?
The IUPAC name of N-(3-amino-2-pyridinyl)ethanesulfinamide (CID 127015630) is N-(3-amino-2-pyridinyl)ethanesulfinamide.
What is the SMILES notation for N-(3-amino-2-pyridinyl)ethanesulfinamide?
The canonical SMILES for N-(3-amino-2-pyridinyl)ethanesulfinamide is CCS(=O)Nc1ncccc1N.
What is the InChIKey of N-(3-amino-2-pyridinyl)ethanesulfinamide?
The InChIKey is LUJSMMCDMVRULH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-2-12(11)10-7-6(8)4-3-5-9-7/h3-5H,2,8H2,1H3,(H,9,10).
What are the key properties of N-(3-amino-2-pyridinyl)ethanesulfinamide?
N-(3-amino-2-pyridinyl)ethanesulfinamide has a molecular weight of 185.25 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-pyridinyl)ethanesulfinamide is sourced from PubChem (CID 127015630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).