N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine

C10H14N2OS2 — CID 134492981

IUPACN-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine
SMILESCc1ccnc(OC2CC(NSS)C2)c1
InChIInChI=1S/C10H14N2OS2/c1-7-2-3-11-10(4-7)13-9-5-8(6-9)12-15-14/h2-4,8-9,12,14H,5-6H2,1H3
InChIKeyLDEMOPVZCJRIRJ-UHFFFAOYSA-N
MW242.37 g/mol
LogP2.38
Rot. Bonds4

About N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine

N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine (PubChem CID 134492981) has the molecular formula C10H14N2OS2 and a molecular weight of 242.37 g/mol. Its IUPAC name is N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound NameN-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine
PubChem CID134492981
Molecular FormulaC10H14N2OS2
Molecular Weight242.37 g/mol
Exact Mass242.05
IUPAC NameN-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine
SMILESCc1ccnc(OC2CC(NSS)C2)c1
InChIInChI=1S/C10H14N2OS2/c1-7-2-3-11-10(4-7)13-9-5-8(6-9)12-15-14/h2-4,8-9,12,14H,5-6H2,1H3
InChIKeyLDEMOPVZCJRIRJ-UHFFFAOYSA-N
XLogP2.38
TPSA34.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyloxy-4-methylpyridine
CID 18779821
trans-methyl (1S,3S)-3-[(4-methyl-2-pyridinyl)oxy]cyclopentane-1-carboxylate
CID 178139036
N-[3-[(4-ethyl-2-pyridinyl)oxy]cyclobutyl]thiohydroxylamine
CID 146526583
4-methyl-2-[(3R)-pyrrolidin-3-yl]oxypyridine;hydrochloride
CID 71638571
methyl (2S,4S)-4-[(4-methyl-2-pyridinyl)oxy]pyrrolidine-2-carboxylate
CID 24902855
3-[(4-ethyl-2-pyridinyl)oxy]-N-propan-2-ylcyclobutan-1-amine
CID 135175004
N-ethyl-3-[(4-propan-2-yl-2-pyridinyl)oxy]cyclobutan-1-amine
CID 155215060
ethane;4-methyl-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]oxypyridine
CID 144655486
O-(4-methyl-2-pyridinyl)hydroxylamine
CID 79422441
4-methyl-2-[3-[1-(piperidin-4-ylmethyl)piperidin-4-yl]oxycyclobutyl]oxypyridine
CID 156719597
5-[4-[(4-methyl-2-pyridinyl)oxy]piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122050962
4-[(4-methyl-2-pyridinyl)oxy]-1-oxa-9-azaspiro[5.5]undecane
CID 176515540

Frequently Asked Questions

What is the IUPAC name of N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine?
The IUPAC name of N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine (CID 134492981) is N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine.
What is the SMILES notation for N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine?
The canonical SMILES for N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine is Cc1ccnc(OC2CC(NSS)C2)c1.
What is the InChIKey of N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine?
The InChIKey is LDEMOPVZCJRIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2OS2/c1-7-2-3-11-10(4-7)13-9-5-8(6-9)12-15-14/h2-4,8-9,12,14H,5-6H2,1H3.
What are the key properties of N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine?
N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine has a molecular weight of 242.37 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(disulfanyl)-3-[(4-methyl-2-pyridinyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 134492981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).