2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine

C11H18N2OS — CID 106927949

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCc1nc(SC2CCCCC2N)oc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)14-11(13-7)15-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3
InChIKeyUSQOYSXKIGLZGI-UHFFFAOYSA-N
MW226.34 g/mol
LogP2.65
Rot. Bonds2

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine (PubChem CID 106927949) has the molecular formula C11H18N2OS and a molecular weight of 226.34 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
PubChem CID106927949
Molecular FormulaC11H18N2OS
Molecular Weight226.34 g/mol
Exact Mass226.11
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
SMILESCc1nc(SC2CCCCC2N)oc1C
InChIInChI=1S/C11H18N2OS/c1-7-8(2)14-11(13-7)15-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3
InChIKeyUSQOYSXKIGLZGI-UHFFFAOYSA-N
XLogP2.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclododecan-1-amine
CID 64634480
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]cyclooctan-1-amine
CID 64633090
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 106927972
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 106928037
2-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64628380
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
CID 106928073
4,5-dimethyl-2-[[(2R)-pyrrolidin-2-yl]methylsulfanyl]-1,3-oxazole
CID 106924606
2-amino-2-cyclopropyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanenitrile
CID 106924789
1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 106925476
2-(1-methyltetrazol-5-yl)sulfanylcyclohexan-1-amine
CID 64621182
2-(2-aminocyclohexyl)sulfanyl-6-methylaniline
CID 106440999

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine (CID 106927949) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine is Cc1nc(SC2CCCCC2N)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
The InChIKey is USQOYSXKIGLZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2OS/c1-7-8(2)14-11(13-7)15-10-6-4-3-5-9(10)12/h9-10H,3-6,12H2,1-2H3.
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine has a molecular weight of 226.34 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine is sourced from PubChem (CID 106927949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).