4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

C13H21N3OS — CID 83200734

IUPAC4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H21N3OS/c14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2
InChIKeyQKHSCJLQTPYSBX-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.67
Rot. Bonds2

About 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (PubChem CID 83200734) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.

Molecular Properties

Compound Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
PubChem CID83200734
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
SMILESNC1CSCC1c1nc(C2CCCCCC2)no1
InChIInChI=1S/C13H21N3OS/c14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2
InChIKeyQKHSCJLQTPYSBX-UHFFFAOYSA-N
XLogP2.67
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200899
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
4-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200505
4-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylthiolan-3-amine
CID 83201545
4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781452
2-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 65390483
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylthiolan-3-amine
CID 83201312
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007
4-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201567
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794

Frequently Asked Questions

What is the IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The IUPAC name of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine (CID 83200734) is 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine.
What is the SMILES notation for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The canonical SMILES for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is NC1CSCC1c1nc(C2CCCCCC2)no1.
What is the InChIKey of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
The InChIKey is QKHSCJLQTPYSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c14-11-8-18-7-10(11)13-15-12(16-17-13)9-5-3-1-2-4-6-9/h9-11H,1-8,14H2.
What are the key properties of 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine?
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine has a molecular weight of 267.40 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine is sourced from PubChem (CID 83200734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).