N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride

C7H16FN2O3S+ — CID 166849929

IUPACN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride
SMILESC[N+]1(CCNS(=O)(=O)F)CCOCC1
InChIInChI=1S/C7H16FN2O3S/c1-10(4-6-13-7-5-10)3-2-9-14(8,11)12/h9H,2-7H2,1H3/q+1
InChIKeyRAIQJTNNLMPEDV-UHFFFAOYSA-N
MW227.28 g/mol
LogP-0.73
Rot. Bonds4

About N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride

N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride (PubChem CID 166849929) has the molecular formula C7H16FN2O3S+ and a molecular weight of 227.28 g/mol. Its IUPAC name is N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride.

Molecular Properties

Compound NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride
PubChem CID166849929
Molecular FormulaC7H16FN2O3S+
Molecular Weight227.28 g/mol
Exact Mass227.09
IUPAC NameN-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride
SMILESC[N+]1(CCNS(=O)(=O)F)CCOCC1
InChIInChI=1S/C7H16FN2O3S/c1-10(4-6-13-7-5-10)3-2-9-14(8,11)12/h9H,2-7H2,1H3/q+1
InChIKeyRAIQJTNNLMPEDV-UHFFFAOYSA-N
XLogP-0.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-fluorosulfonyl-2-(4-methylmorpholin-4-ium-4-yl)ethanamine oxide
CID 169983809
N-(2-aminoethyl)-N-(2,2-difluoroethyl)morpholine-4-sulfonamide
CID 107493822
N-(2-aminoethyl)-N-(2,2,2-trifluoroethyl)morpholine-4-sulfonamide
CID 113966290
N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 1237764
2-Morpholin-4-ylethylsulfamic acid
CID 10192715
sodium N-(2-morpholin-4-ylethyl)sulfamate
CID 23670425
N-(2-methoxyethyl)piperazine-1-sulfonamide
CID 28775604
N-ethylmorpholine-4-sulfonamide
CID 43213437
N-propylmorpholine-4-sulfonamide
CID 43213438
N-(2-methoxyethyl)morpholine-4-sulfonamide
CID 51075461
N-(2-morpholin-4-ylethyl)sulfamate
CID 58571363
4-(2-Methoxyethyl)-1-piperazinesulfonamide
CID 60043470

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride?
The IUPAC name of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride (CID 166849929) is N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride.
What is the SMILES notation for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride?
The canonical SMILES for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride is C[N+]1(CCNS(=O)(=O)F)CCOCC1.
What is the InChIKey of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride?
The InChIKey is RAIQJTNNLMPEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN2O3S/c1-10(4-6-13-7-5-10)3-2-9-14(8,11)12/h9H,2-7H2,1H3/q+1.
What are the key properties of N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride?
N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride has a molecular weight of 227.28 g/mol, XLogP of -0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylmorpholin-4-ium-4-yl)ethyl]sulfamoyl fluoride is sourced from PubChem (CID 166849929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).