[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine

C11H13N3OS — CID 66354939

IUPAC[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
SMILESCc1nonc1CSc1cccc(CN)c1
InChIInChI=1S/C11H13N3OS/c1-8-11(14-15-13-8)7-16-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3
InChIKeyHCFDDRRBWRFMON-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.13
Rot. Bonds4

About [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine

[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine (PubChem CID 66354939) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
PubChem CID66354939
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
SMILESCc1nonc1CSc1cccc(CN)c1
InChIInChI=1S/C11H13N3OS/c1-8-11(14-15-13-8)7-16-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3
InChIKeyHCFDDRRBWRFMON-UHFFFAOYSA-N
XLogP2.13
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[(3,5-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66354106
[3-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66353686
[3-[(3,4-dimethylphenyl)methylsulfanyl]phenyl]methanamine
CID 66353892
[3-[(5-ethyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine
CID 66354741
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfanyl]phenyl]methanamine
CID 66353268
[3-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]methanamine
CID 66353488
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
[3-[(4-bromo-1-ethyl-3-methylpyrazol-5-yl)methylsulfanyl]phenyl]methanamine
CID 66354757
(3-propylsulfanylphenyl)methanamine
CID 66356001
[5-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629966
[3-(2-fluoropropylsulfanyl)phenyl]methanamine
CID 84669018
[3-(2,2-difluoropropylsulfanyl)phenyl]methanamine
CID 84683032

Frequently Asked Questions

What is the IUPAC name of [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine?
The IUPAC name of [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine (CID 66354939) is [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine.
What is the SMILES notation for [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine?
The canonical SMILES for [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine is Cc1nonc1CSc1cccc(CN)c1.
What is the InChIKey of [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine?
The InChIKey is HCFDDRRBWRFMON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-11(14-15-13-8)7-16-10-4-2-3-9(5-10)6-12/h2-5H,6-7,12H2,1H3.
What are the key properties of [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine?
[3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine has a molecular weight of 235.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-methyl-1,2,5-oxadiazol-3-yl)methylsulfanyl]phenyl]methanamine is sourced from PubChem (CID 66354939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).