N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium

C10H24N2O4S — CID 155684057

IUPACN-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C4H11NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-5(2)3-4-6/h6-7H,1-5H2,(H,8,9,10);6H,3-4H2,1-2H3
InChIKeyGNVRIFYDMCCMMH-UHFFFAOYSA-N
MW268.38 g/mol
LogP-1.51
Rot. Bonds4

About N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium

N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium (PubChem CID 155684057) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium.

Molecular Properties

Compound NameN-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium
PubChem CID155684057
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC NameN-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium
SMILESC[NH+](C)CCO.O=S(=O)([O-])NC1CCCCC1
InChIInChI=1S/C6H13NO3S.C4H11NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-5(2)3-4-6/h6-7H,1-5H2,(H,8,9,10);6H,3-4H2,1-2H3
InChIKeyGNVRIFYDMCCMMH-UHFFFAOYSA-N
XLogP-1.51
TPSA93.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium?
The IUPAC name of N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium (CID 155684057) is N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium.
What is the SMILES notation for N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium?
The canonical SMILES for N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium is C[NH+](C)CCO.O=S(=O)([O-])NC1CCCCC1.
What is the InChIKey of N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium?
The InChIKey is GNVRIFYDMCCMMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3S.C4H11NO/c8-11(9,10)7-6-4-2-1-3-5-6;1-5(2)3-4-6/h6-7H,1-5H2,(H,8,9,10);6H,3-4H2,1-2H3.
What are the key properties of N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium?
N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium has a molecular weight of 268.38 g/mol, XLogP of -1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylsulfamate;2-hydroxyethyl(dimethyl)azanium is sourced from PubChem (CID 155684057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).