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

C9H14N2OS — CID 106921050

IUPAC4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCC(Sc2ncco2)CC1
InChIInChI=1S/C9H14N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h5-8H,1-4,10H2
InChIKeyNQOFVOFEXDMFEI-UHFFFAOYSA-N
MW198.29 g/mol
LogP2.04
Rot. Bonds2

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

4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (PubChem CID 106921050) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
PubChem CID106921050
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine
SMILESNC1CCC(Sc2ncco2)CC1
InChIInChI=1S/C9H14N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h5-8H,1-4,10H2
InChIKeyNQOFVOFEXDMFEI-UHFFFAOYSA-N
XLogP2.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine (CID 106921050) is 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is NC1CCC(Sc2ncco2)CC1.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is NQOFVOFEXDMFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h5-8H,1-4,10H2.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine?
4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 198.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 106921050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).