sodium N-(2-ethylcyclohexyl)sulfamate

C8H16NNaO3S — CID 23663562

IUPACsodium N-(2-ethylcyclohexyl)sulfamate
SMILESCCC1CCCCC1NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H17NO3S.Na/c1-2-7-5-3-4-6-8(7)9-13(10,11)12;/h7-9H,2-6H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeySZNVSUMHDOWDPS-UHFFFAOYSA-M
MW229.28 g/mol
LogP-1.99
Rot. Bonds3

About sodium N-(2-ethylcyclohexyl)sulfamate

sodium N-(2-ethylcyclohexyl)sulfamate (PubChem CID 23663562) has the molecular formula C8H16NNaO3S and a molecular weight of 229.28 g/mol. Its IUPAC name is sodium N-(2-ethylcyclohexyl)sulfamate.

Molecular Properties

Compound Namesodium N-(2-ethylcyclohexyl)sulfamate
PubChem CID23663562
Molecular FormulaC8H16NNaO3S
Molecular Weight229.28 g/mol
Exact Mass229.07
IUPAC Namesodium N-(2-ethylcyclohexyl)sulfamate
SMILESCCC1CCCCC1NS(=O)(=O)[O-].[Na+]
InChIInChI=1S/C8H17NO3S.Na/c1-2-7-5-3-4-6-8(7)9-13(10,11)12;/h7-9H,2-6H2,1H3,(H,10,11,12);/q;+1/p-1
InChIKeySZNVSUMHDOWDPS-UHFFFAOYSA-M
XLogP-1.99
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium N-(2-ethylcyclohexyl)sulfamate?
The IUPAC name of sodium N-(2-ethylcyclohexyl)sulfamate (CID 23663562) is sodium N-(2-ethylcyclohexyl)sulfamate.
What is the SMILES notation for sodium N-(2-ethylcyclohexyl)sulfamate?
The canonical SMILES for sodium N-(2-ethylcyclohexyl)sulfamate is CCC1CCCCC1NS(=O)(=O)[O-].[Na+].
What is the InChIKey of sodium N-(2-ethylcyclohexyl)sulfamate?
The InChIKey is SZNVSUMHDOWDPS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H17NO3S.Na/c1-2-7-5-3-4-6-8(7)9-13(10,11)12;/h7-9H,2-6H2,1H3,(H,10,11,12);/q;+1/p-1.
What are the key properties of sodium N-(2-ethylcyclohexyl)sulfamate?
sodium N-(2-ethylcyclohexyl)sulfamate has a molecular weight of 229.28 g/mol, XLogP of -1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(2-ethylcyclohexyl)sulfamate is sourced from PubChem (CID 23663562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).