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

C11H18N2OS — CID 106927211

IUPACN,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ncco1
InChIInChI=1S/C11H18N2OS/c1-8-3-4-9(12-2)10(7-8)15-11-13-5-6-14-11/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyZLAUAEAYPFZTDG-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.54
Rot. Bonds3

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

N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 106927211) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID106927211
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC NameN,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESCNC1CCC(C)CC1Sc1ncco1
InChIInChI=1S/C11H18N2OS/c1-8-3-4-9(12-2)10(7-8)15-11-13-5-6-14-11/h5-6,8-10,12H,3-4,7H2,1-2H3
InChIKeyZLAUAEAYPFZTDG-UHFFFAOYSA-N
XLogP2.54
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (CID 106927211) is N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is CNC1CCC(C)CC1Sc1ncco1.
What is the InChIKey of N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is ZLAUAEAYPFZTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-8-3-4-9(12-2)10(7-8)15-11-13-5-6-14-11/h5-6,8-10,12H,3-4,7H2,1-2H3.
What are the key properties of N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 106927211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).