N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine

C12H20N2OS — CID 106927497

IUPACN-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1ncco1
InChIInChI=1S/C12H20N2OS/c1-3-13-10-5-4-9(2)8-11(10)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyNUMUJEYPEIITRH-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.93
Rot. Bonds4

About N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine

N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 106927497) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID106927497
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC NameN-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C)CC1Sc1ncco1
InChIInChI=1S/C12H20N2OS/c1-3-13-10-5-4-9(2)8-11(10)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3
InChIKeyNUMUJEYPEIITRH-UHFFFAOYSA-N
XLogP2.93
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (CID 106927497) is N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is CCNC1CCC(C)CC1Sc1ncco1.
What is the InChIKey of N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is NUMUJEYPEIITRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-13-10-5-4-9(2)8-11(10)16-12-14-6-7-15-12/h6-7,9-11,13H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 106927497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).