cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine

C14H17N3OS — CID 66111771

IUPACcyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cccc(SCc2noc(C(N)C3CC3)n2)c1
InChIInChI=1S/C14H17N3OS/c1-9-3-2-4-11(7-9)19-8-12-16-14(18-17-12)13(15)10-5-6-10/h2-4,7,10,13H,5-6,8,15H2,1H3
InChIKeyZGNCHEYBCPCVCZ-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.08
Rot. Bonds5

About cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine

cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 66111771) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID66111771
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC Namecyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine
SMILESCc1cccc(SCc2noc(C(N)C3CC3)n2)c1
InChIInChI=1S/C14H17N3OS/c1-9-3-2-4-11(7-9)19-8-12-16-14(18-17-12)13(15)10-5-6-10/h2-4,7,10,13H,5-6,8,15H2,1H3
InChIKeyZGNCHEYBCPCVCZ-UHFFFAOYSA-N
XLogP3.08
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 66111954
5-chloro-3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazole
CID 66087015
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 66086839
5-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845642
1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 66111376
(1S)-1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899541
cyclopropyl-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 62695171
2-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79799234
3-methyl-1-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 66087033
3-[(3-methylphenyl)sulfanylmethyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 66111569
2-methyl-4-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 66111371
(1S)-1-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909517

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine (CID 66111771) is cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine is Cc1cccc(SCc2noc(C(N)C3CC3)n2)c1.
What is the InChIKey of cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is ZGNCHEYBCPCVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-9-3-2-4-11(7-9)19-8-12-16-14(18-17-12)13(15)10-5-6-10/h2-4,7,10,13H,5-6,8,15H2,1H3.
What are the key properties of cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine?
cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 275.38 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-[(3-methylphenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 66111771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).