N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane

C12H21N3O2S — CID 143812055

IUPACN-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane
SMILESCOC.CS(=O)NCc1ccc(C2(N)CC2)nc1
InChIInChI=1S/C10H15N3OS.C2H6O/c1-15(14)13-7-8-2-3-9(12-6-8)10(11)4-5-10;1-3-2/h2-3,6,13H,4-5,7,11H2,1H3;1-2H3
InChIKeyKGIXQFKWRCXIIZ-UHFFFAOYSA-N
MW271.39 g/mol
LogP0.68
Rot. Bonds4

About N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane

N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane (PubChem CID 143812055) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane.

Molecular Properties

Compound NameN-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane
PubChem CID143812055
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane
SMILESCOC.CS(=O)NCc1ccc(C2(N)CC2)nc1
InChIInChI=1S/C10H15N3OS.C2H6O/c1-15(14)13-7-8-2-3-9(12-6-8)10(11)4-5-10;1-3-2/h2-3,6,13H,4-5,7,11H2,1H3;1-2H3
InChIKeyKGIXQFKWRCXIIZ-UHFFFAOYSA-N
XLogP0.68
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane?
The IUPAC name of N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane (CID 143812055) is N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane.
What is the SMILES notation for N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane?
The canonical SMILES for N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane is COC.CS(=O)NCc1ccc(C2(N)CC2)nc1.
What is the InChIKey of N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane?
The InChIKey is KGIXQFKWRCXIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS.C2H6O/c1-15(14)13-7-8-2-3-9(12-6-8)10(11)4-5-10;1-3-2/h2-3,6,13H,4-5,7,11H2,1H3;1-2H3.
What are the key properties of N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane?
N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane has a molecular weight of 271.39 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-aminocyclopropyl)-3-pyridinyl]methyl]methanesulfinamide;methoxymethane is sourced from PubChem (CID 143812055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).