(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate

C13H16N2O4S — CID 23117134

IUPAC(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(C3CCCCC3)noc2c1
InChIInChI=1S/C13H16N2O4S/c14-20(16,17)19-10-6-7-11-12(8-10)18-15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,16,17)
InChIKeyVZTQHRQXOLTWEL-UHFFFAOYSA-N
MW296.35 g/mol
LogP2.46
Rot. Bonds3

About (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate

(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate (PubChem CID 23117134) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate.

Molecular Properties

Compound Name(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate
PubChem CID23117134
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate
SMILESNS(=O)(=O)Oc1ccc2c(C3CCCCC3)noc2c1
InChIInChI=1S/C13H16N2O4S/c14-20(16,17)19-10-6-7-11-12(8-10)18-15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,16,17)
InChIKeyVZTQHRQXOLTWEL-UHFFFAOYSA-N
XLogP2.46
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate?
The IUPAC name of (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate (CID 23117134) is (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate.
What is the SMILES notation for (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate?
The canonical SMILES for (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate is NS(=O)(=O)Oc1ccc2c(C3CCCCC3)noc2c1.
What is the InChIKey of (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate?
The InChIKey is VZTQHRQXOLTWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-20(16,17)19-10-6-7-11-12(8-10)18-15-13(11)9-4-2-1-3-5-9/h6-9H,1-5H2,(H2,14,16,17).
What are the key properties of (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate?
(3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate has a molecular weight of 296.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-1,2-benzoxazol-6-yl) sulfamate is sourced from PubChem (CID 23117134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).