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

C16H29N3OS — CID 106483455

IUPAC2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CSC(C)C)no1
InChIInChI=1S/C16H29N3OS/c1-4-9-17-14-8-6-5-7-13(14)10-16-18-15(19-20-16)11-21-12(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyPIWOJCPFFHHUDL-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.81
Rot. Bonds8

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

2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (PubChem CID 106483455) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
PubChem CID106483455
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1Cc1nc(CSC(C)C)no1
InChIInChI=1S/C16H29N3OS/c1-4-9-17-14-8-6-5-7-13(14)10-16-18-15(19-20-16)11-21-12(2)3/h12-14,17H,4-11H2,1-3H3
InChIKeyPIWOJCPFFHHUDL-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483396
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483458
2-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483445
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
N-ethyl-2-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483402
4-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252881
2-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483353
N-ethyl-2-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65133160
N-propyl-2-[[3-(1,3-thiazol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483555
2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072858

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine (CID 106483455) is 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1Cc1nc(CSC(C)C)no1.
What is the InChIKey of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
The InChIKey is PIWOJCPFFHHUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-9-17-14-8-6-5-7-13(14)10-16-18-15(19-20-16)11-21-12(2)3/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine?
2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine has a molecular weight of 311.50 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 106483455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).