2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine

C15H20N2O2S — CID 64739066

IUPAC2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine
SMILESCC1CCC(S(=O)c2nc3ccc(N)cc3o2)CC1C
InChIInChI=1S/C15H20N2O2S/c1-9-3-5-12(7-10(9)2)20(18)15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3
InChIKeyPBVRRLNCGFQMGO-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.34
Rot. Bonds2

About 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine

2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine (PubChem CID 64739066) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine
PubChem CID64739066
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC Name2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine
SMILESCC1CCC(S(=O)c2nc3ccc(N)cc3o2)CC1C
InChIInChI=1S/C15H20N2O2S/c1-9-3-5-12(7-10(9)2)20(18)15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3
InChIKeyPBVRRLNCGFQMGO-UHFFFAOYSA-N
XLogP3.34
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine (CID 64739066) is 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine is CC1CCC(S(=O)c2nc3ccc(N)cc3o2)CC1C.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine?
The InChIKey is PBVRRLNCGFQMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-9-3-5-12(7-10(9)2)20(18)15-17-13-6-4-11(16)8-14(13)19-15/h4,6,8-10,12H,3,5,7,16H2,1-2H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine?
2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine has a molecular weight of 292.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)sulfinyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 64739066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).