2-cyclohexylethyl sulfamate

C8H17NO3S — CID 122528767

IUPAC2-cyclohexylethyl sulfamate
SMILESNS(=O)(=O)OCCC1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyLVYLMDUWLDBHRT-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.18
Rot. Bonds4

About 2-cyclohexylethyl sulfamate

2-cyclohexylethyl sulfamate (PubChem CID 122528767) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is 2-cyclohexylethyl sulfamate.

Molecular Properties

Compound Name2-cyclohexylethyl sulfamate
PubChem CID122528767
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name2-cyclohexylethyl sulfamate
SMILESNS(=O)(=O)OCCC1CCCCC1
InChIInChI=1S/C8H17NO3S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,9,10,11)
InChIKeyLVYLMDUWLDBHRT-UHFFFAOYSA-N
XLogP1.18
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexylethyl sulfamate?
The IUPAC name of 2-cyclohexylethyl sulfamate (CID 122528767) is 2-cyclohexylethyl sulfamate.
What is the SMILES notation for 2-cyclohexylethyl sulfamate?
The canonical SMILES for 2-cyclohexylethyl sulfamate is NS(=O)(=O)OCCC1CCCCC1.
What is the InChIKey of 2-cyclohexylethyl sulfamate?
The InChIKey is LVYLMDUWLDBHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c9-13(10,11)12-7-6-8-4-2-1-3-5-8/h8H,1-7H2,(H2,9,10,11).
What are the key properties of 2-cyclohexylethyl sulfamate?
2-cyclohexylethyl sulfamate has a molecular weight of 207.29 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexylethyl sulfamate is sourced from PubChem (CID 122528767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).