N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine

C10H17N3OS — CID 107911765

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine
SMILESCc1nc(CNCC2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(13-14-8)7-11-6-9-4-2-3-5-15-9/h9,11H,2-7H2,1H3
InChIKeyGWBXMNYZKFKDTJ-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.75
Rot. Bonds4

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

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine (PubChem CID 107911765) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine
PubChem CID107911765
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine
SMILESCc1nc(CNCC2CCCCS2)no1
InChIInChI=1S/C10H17N3OS/c1-8-12-10(13-14-8)7-11-6-9-4-2-3-5-15-9/h9,11H,2-7H2,1H3
InChIKeyGWBXMNYZKFKDTJ-UHFFFAOYSA-N
XLogP1.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025406
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 107911452
3-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 106129527
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 107911734
N-[(4-methylphenyl)methyl]-1-(thian-2-yl)methanamine
CID 80600045
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600095
2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclohexan-1-amine
CID 104892127
N-[(2,5-dimethylthiophen-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80600144
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 80599879
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 107911772

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine (CID 107911765) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine is Cc1nc(CNCC2CCCCS2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine?
The InChIKey is GWBXMNYZKFKDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-8-12-10(13-14-8)7-11-6-9-4-2-3-5-15-9/h9,11H,2-7H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine has a molecular weight of 227.33 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine is sourced from PubChem (CID 107911765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).