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

C8H13N3OS — CID 61014333

IUPACN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
SMILESCc1noc(CNC2CCSC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-8(12-11-6)4-9-7-2-3-13-5-7/h7,9H,2-5H2,1H3
InChIKeyHQVLIAZQOWNLKP-UHFFFAOYSA-N
MW199.28 g/mol
LogP0.97
Rot. Bonds3

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

N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine (PubChem CID 61014333) has the molecular formula C8H13N3OS and a molecular weight of 199.28 g/mol. Its IUPAC name is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine.

Molecular Properties

Compound NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
PubChem CID61014333
Molecular FormulaC8H13N3OS
Molecular Weight199.28 g/mol
Exact Mass199.08
IUPAC NameN-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine
SMILESCc1noc(CNC2CCSC2)n1
InChIInChI=1S/C8H13N3OS/c1-6-10-8(12-11-6)4-9-7-2-3-13-5-7/h7,9H,2-5H2,1H3
InChIKeyHQVLIAZQOWNLKP-UHFFFAOYSA-N
XLogP0.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-{[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydrothiophen-3-amine
CID 50949759
N-{[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]methyl}tetrahydrothiophen-3-amine
CID 50976579
N-((3-methyl-1,2,4-oxadiazol-5-yl)methyl)-5-oxo-1,4-thiazepane-3-carboxamide
CID 71798112
N-methyl-3-[methyl({3-[(methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)amino]butanamide
CID 91839367
1-({3-[(Methylthio)methyl]-1,2,4-oxadiazol-5-yl}methyl)-4-pyrrolidin-3-ylpiperazine
CID 91840717
1,1-dioxo-N-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]thiolan-3-amine
CID 61392821
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-[2-(trifluoromethyl)-1,3-dithiolan-2-yl]acetamide
CID 75390758
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258108
2,2,2-trifluoro-N-[[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258270
2,2,2-trifluoro-N-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258271
N-[[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-2,2,2-trifluoroethanamine
CID 79258432
2,2,2-trifluoro-N-[[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]ethanamine
CID 79258515

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The IUPAC name of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine (CID 61014333) is N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine.
What is the SMILES notation for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The canonical SMILES for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine is Cc1noc(CNC2CCSC2)n1.
What is the InChIKey of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
The InChIKey is HQVLIAZQOWNLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3OS/c1-6-10-8(12-11-6)4-9-7-2-3-13-5-7/h7,9H,2-5H2,1H3.
What are the key properties of N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine?
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine has a molecular weight of 199.28 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]thiolan-3-amine is sourced from PubChem (CID 61014333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).