N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide

C7H17FN2O2S — CID 71911755

IUPACN-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide
SMILESCN(C)CCNS(=O)(=O)CCCF
InChIInChI=1S/C7H17FN2O2S/c1-10(2)6-5-9-13(11,12)7-3-4-8/h9H,3-7H2,1-2H3
InChIKeyWZVWLDFRBKLLRR-UHFFFAOYSA-N
MW212.29 g/mol
LogP-0.17
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide

N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide (PubChem CID 71911755) has the molecular formula C7H17FN2O2S and a molecular weight of 212.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide
PubChem CID71911755
Molecular FormulaC7H17FN2O2S
Molecular Weight212.29 g/mol
Exact Mass212.10
IUPAC NameN-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide
SMILESCN(C)CCNS(=O)(=O)CCCF
InChIInChI=1S/C7H17FN2O2S/c1-10(2)6-5-9-13(11,12)7-3-4-8/h9H,3-7H2,1-2H3
InChIKeyWZVWLDFRBKLLRR-UHFFFAOYSA-N
XLogP-0.17
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(ethylamino)ethyl]-3-fluoropropane-1-sulfonamide;hydrochloride
CID 119973459
N-[4-(dimethylamino)butyl]propane-1-sulfonamide
CID 64586138
N-[3-(dimethylamino)propyl]-3-(propan-2-ylamino)propane-1-sulfonamide
CID 54974106
2-(dimethylamino)-N-octadecylethanesulfonamide
CID 91693805
3-(ethylamino)-N-[2-[methyl(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 114141000
N-[2-[tert-butyl(methylsulfonyl)amino]ethyl]butane-1-sulfonamide
CID 113068071
N-[2-(dimethylamino)ethyl]-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113053585
N-[2-(diethylamino)ethyl]-3-(methylamino)propane-1-sulfonamide
CID 106034847
3-chloro-N-[2-[di(propan-2-yl)amino]ethyl]propane-1-sulfonamide
CID 43653973
4-[2-[methyl(propan-2-yl)amino]ethylsulfamoyl]butanoic acid
CID 55097859
3-fluoro-N-(3-piperazin-1-ylpropyl)propane-1-sulfonamide;dihydrochloride
CID 119994508
N-[2-(dimethylamino)ethyl]-2,3,4,5,6-pentafluorobenzenesulfonamide
CID 118636668

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide (CID 71911755) is N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide is CN(C)CCNS(=O)(=O)CCCF.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide?
The InChIKey is WZVWLDFRBKLLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17FN2O2S/c1-10(2)6-5-9-13(11,12)7-3-4-8/h9H,3-7H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide?
N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide has a molecular weight of 212.29 g/mol, XLogP of -0.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-fluoropropane-1-sulfonamide is sourced from PubChem (CID 71911755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).