N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C15H25N3OS — CID 80637975

IUPACN-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(C2CCCCS2)no1
InChIInChI=1S/C15H25N3OS/c1-2-16-12-8-4-3-7-11(12)15-17-14(18-19-15)13-9-5-6-10-20-13/h11-13,16H,2-10H2,1H3
InChIKeyKROMRCZEILQHLY-UHFFFAOYSA-N
MW295.45 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 80637975) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID80637975
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC NameN-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCNC1CCCCC1c1nc(C2CCCCS2)no1
InChIInChI=1S/C15H25N3OS/c1-2-16-12-8-4-3-7-11(12)15-17-14(18-19-15)13-9-5-6-10-20-13/h11-13,16H,2-10H2,1H3
InChIKeyKROMRCZEILQHLY-UHFFFAOYSA-N
XLogP3.66
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201081
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclohexan-1-amine
CID 65424411
N-propyl-4-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83200662
N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605
N-ethyl-2-[3-(4-methylthiomorpholin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106446094
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
N-ethyl-2-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 65415278
2-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-N-ethylcyclohexan-1-amine
CID 63892003
2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106526057
2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethylcyclopentan-1-amine
CID 55201257
4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-ethylthiolan-3-amine
CID 83201313
2-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexane-1-carboxylic acid
CID 80621211

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 80637975) is N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCNC1CCCCC1c1nc(C2CCCCS2)no1.
What is the InChIKey of N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is KROMRCZEILQHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-2-16-12-8-4-3-7-11(12)15-17-14(18-19-15)13-9-5-6-10-20-13/h11-13,16H,2-10H2,1H3.
What are the key properties of N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 295.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 80637975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).