6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine

C15H26N2OS — CID 106927972

IUPAC6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Sc2nc(C)c(C)o2)CCCC1(C)C
InChIInChI=1S/C15H26N2OS/c1-6-16-13-12(8-7-9-15(13,4)5)19-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3
InChIKeyXTSUAQHWLACSDY-UHFFFAOYSA-N
MW282.45 g/mol
LogP3.94
Rot. Bonds4

About 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine

6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine (PubChem CID 106927972) has the molecular formula C15H26N2OS and a molecular weight of 282.45 g/mol. Its IUPAC name is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
PubChem CID106927972
Molecular FormulaC15H26N2OS
Molecular Weight282.45 g/mol
Exact Mass282.18
IUPAC Name6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
SMILESCCNC1C(Sc2nc(C)c(C)o2)CCCC1(C)C
InChIInChI=1S/C15H26N2OS/c1-6-16-13-12(8-7-9-15(13,4)5)19-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3
InChIKeyXTSUAQHWLACSDY-UHFFFAOYSA-N
XLogP3.94
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine (CID 106927972) is 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine is CCNC1C(Sc2nc(C)c(C)o2)CCCC1(C)C.
What is the InChIKey of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
The InChIKey is XTSUAQHWLACSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2OS/c1-6-16-13-12(8-7-9-15(13,4)5)19-14-17-10(2)11(3)18-14/h12-13,16H,6-9H2,1-5H3.
What are the key properties of 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine?
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine has a molecular weight of 282.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106927972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).