2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine

C15H20N2OS — CID 64648781

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2nc3ccccc3o2)C1
InChIInChI=1S/C15H20N2OS/c1-15(2)8-7-10(16)13(9-15)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyOKPPXEWHFJBVEQ-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.83
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine

2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine (PubChem CID 64648781) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
PubChem CID64648781
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCC(N)C(Sc2nc3ccccc3o2)C1
InChIInChI=1S/C15H20N2OS/c1-15(2)8-7-10(16)13(9-15)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,13H,7-9,16H2,1-2H3
InChIKeyOKPPXEWHFJBVEQ-UHFFFAOYSA-N
XLogP3.83
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N,4,4-trimethylcyclohexan-1-amine
CID 64647811
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
2-[(5-bromo-2-pyridinyl)sulfanyl]-4,4-dimethylcyclohexan-1-amine
CID 64628826
3-(1,3-benzoxazol-2-ylsulfanyl)oxolan-2-one
CID 2948558
3-(1,3-benzoxazol-2-ylsulfanyl)-N-propyloxan-4-amine
CID 64649376
(2S)-1-(1-adamantyl)-2-(1,3-benzoxazol-2-ylsulfanyl)propan-1-one
CID 8893915
(3S)-3-(1,3-benzoxazol-2-ylsulfanyl)thiolane 1,1-dioxide
CID 40557013
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
S-(1,3-benzoxazol-2-yl) 7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-carbothioate
CID 18834305
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680
3-(1,3-benzoxazol-2-ylsulfanyl)butan-1-amine
CID 60915392

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine (CID 64648781) is 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine is CC1(C)CCC(N)C(Sc2nc3ccccc3o2)C1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
The InChIKey is OKPPXEWHFJBVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-15(2)8-7-10(16)13(9-15)19-14-17-11-5-3-4-6-12(11)18-14/h3-6,10,13H,7-9,16H2,1-2H3.
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine?
2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).