phenyl N-cyclohex-2-en-1-ylsulfamate

C12H15NO3S — CID 53260027

IUPACphenyl N-cyclohex-2-en-1-ylsulfamate
SMILESO=S(=O)(NC1C=CCCC1)Oc1ccccc1
InChIInChI=1S/C12H15NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2-3,5-7,9-11,13H,1,4,8H2
InChIKeyVHXVDFFXKIZXIA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.01
Rot. Bonds4

About phenyl N-cyclohex-2-en-1-ylsulfamate

phenyl N-cyclohex-2-en-1-ylsulfamate (PubChem CID 53260027) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is phenyl N-cyclohex-2-en-1-ylsulfamate.

Molecular Properties

Compound Namephenyl N-cyclohex-2-en-1-ylsulfamate
PubChem CID53260027
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Namephenyl N-cyclohex-2-en-1-ylsulfamate
SMILESO=S(=O)(NC1C=CCCC1)Oc1ccccc1
InChIInChI=1S/C12H15NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2-3,5-7,9-11,13H,1,4,8H2
InChIKeyVHXVDFFXKIZXIA-UHFFFAOYSA-N
XLogP2.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of phenyl N-cyclohex-2-en-1-ylsulfamate?
The IUPAC name of phenyl N-cyclohex-2-en-1-ylsulfamate (CID 53260027) is phenyl N-cyclohex-2-en-1-ylsulfamate.
What is the SMILES notation for phenyl N-cyclohex-2-en-1-ylsulfamate?
The canonical SMILES for phenyl N-cyclohex-2-en-1-ylsulfamate is O=S(=O)(NC1C=CCCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-cyclohex-2-en-1-ylsulfamate?
The InChIKey is VHXVDFFXKIZXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c14-17(15,13-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h2-3,5-7,9-11,13H,1,4,8H2.
What are the key properties of phenyl N-cyclohex-2-en-1-ylsulfamate?
phenyl N-cyclohex-2-en-1-ylsulfamate has a molecular weight of 253.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-cyclohex-2-en-1-ylsulfamate is sourced from PubChem (CID 53260027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).