(2-ethylcyclohexyl)sulfamic acid

C8H17NO3S — CID 13115369

IUPAC(2-ethylcyclohexyl)sulfamic acid
SMILESCCC1CCCCC1NS(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-7-5-3-4-6-8(7)9-13(10,11)12/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyYWFFKGNDSNAVLW-UHFFFAOYSA-N
MW207.29 g/mol
LogP1.35
Rot. Bonds3

About (2-ethylcyclohexyl)sulfamic acid

(2-ethylcyclohexyl)sulfamic acid (PubChem CID 13115369) has the molecular formula C8H17NO3S and a molecular weight of 207.29 g/mol. Its IUPAC name is (2-ethylcyclohexyl)sulfamic acid.

Molecular Properties

Compound Name(2-ethylcyclohexyl)sulfamic acid
PubChem CID13115369
Molecular FormulaC8H17NO3S
Molecular Weight207.29 g/mol
Exact Mass207.09
IUPAC Name(2-ethylcyclohexyl)sulfamic acid
SMILESCCC1CCCCC1NS(=O)(=O)O
InChIInChI=1S/C8H17NO3S/c1-2-7-5-3-4-6-8(7)9-13(10,11)12/h7-9H,2-6H2,1H3,(H,10,11,12)
InChIKeyYWFFKGNDSNAVLW-UHFFFAOYSA-N
XLogP1.35
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2-ethylcyclohexyl)sulfamic acid?
The IUPAC name of (2-ethylcyclohexyl)sulfamic acid (CID 13115369) is (2-ethylcyclohexyl)sulfamic acid.
What is the SMILES notation for (2-ethylcyclohexyl)sulfamic acid?
The canonical SMILES for (2-ethylcyclohexyl)sulfamic acid is CCC1CCCCC1NS(=O)(=O)O.
What is the InChIKey of (2-ethylcyclohexyl)sulfamic acid?
The InChIKey is YWFFKGNDSNAVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3S/c1-2-7-5-3-4-6-8(7)9-13(10,11)12/h7-9H,2-6H2,1H3,(H,10,11,12).
What are the key properties of (2-ethylcyclohexyl)sulfamic acid?
(2-ethylcyclohexyl)sulfamic acid has a molecular weight of 207.29 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylcyclohexyl)sulfamic acid is sourced from PubChem (CID 13115369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).