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

C9H15N3OS — CID 107914942

IUPACN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1nnc(CNCC2CCSC2)o1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(13-7)5-10-4-8-2-3-14-6-8/h8,10H,2-6H2,1H3
InChIKeyRKTGCRCUYJUAJS-UHFFFAOYSA-N
MW213.31 g/mol
LogP1.22
Rot. Bonds4

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

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine (PubChem CID 107914942) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
PubChem CID107914942
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC NameN-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
SMILESCc1nnc(CNCC2CCSC2)o1
InChIInChI=1S/C9H15N3OS/c1-7-11-12-9(13-7)5-10-4-8-2-3-14-6-8/h8,10H,2-6H2,1H3
InChIKeyRKTGCRCUYJUAJS-UHFFFAOYSA-N
XLogP1.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 107914373
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(thiolan-3-yl)methanamine
CID 107295824
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107167980
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 25218857
1-(thiolan-3-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 107166073
N-[(2-methyl-1H-imidazol-5-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107295484
N-[(5-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166716
N-[(1-methyltriazol-4-yl)methyl]-1-(thiolan-3-yl)methanamine
CID 107166795
N-[(6-methyl-3-pyridinyl)methyl]-1-(thiolan-3-yl)methanamine
CID 107132075
3-cyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 106010660
6-methyl-2-[(thiolan-3-ylmethylamino)methyl]pyridin-3-ol
CID 107295445
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 107914913

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine (CID 107914942) is N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine is Cc1nnc(CNCC2CCSC2)o1.
What is the InChIKey of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine?
The InChIKey is RKTGCRCUYJUAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c1-7-11-12-9(13-7)5-10-4-8-2-3-14-6-8/h8,10H,2-6H2,1H3.
What are the key properties of N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine?
N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine has a molecular weight of 213.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-(thiolan-3-yl)methanamine is sourced from PubChem (CID 107914942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).