N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine

C11H18N2OS — CID 106927228

IUPACN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ncco1
InChIInChI=1S/C11H18N2OS/c1-2-12-9-5-3-4-6-10(9)15-11-13-7-8-14-11/h7-10,12H,2-6H2,1H3
InChIKeyJJZMUXRPRBYDIR-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.69
Rot. Bonds4

About N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 106927228) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID106927228
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCCCC1Sc1ncco1
InChIInChI=1S/C11H18N2OS/c1-2-12-9-5-3-4-6-10(9)15-11-13-7-8-14-11/h7-10,12H,2-6H2,1H3
InChIKeyJJZMUXRPRBYDIR-UHFFFAOYSA-N
XLogP2.69
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (CID 106927228) is N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CCCCC1Sc1ncco1.
What is the InChIKey of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is JJZMUXRPRBYDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-2-12-9-5-3-4-6-10(9)15-11-13-7-8-14-11/h7-10,12H,2-6H2,1H3.
What are the key properties of N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 106927228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).