3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide

C8H19FN2O2S — CID 120716044

IUPAC3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide
SMILESCCCNCCNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O2S/c1-2-5-10-6-7-11-14(12,13)8-3-4-9/h10-11H,2-8H2,1H3
InChIKeyKYRYUVRMYVEIJK-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.26
Rot. Bonds9

About 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide

3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide (PubChem CID 120716044) has the molecular formula C8H19FN2O2S and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide
PubChem CID120716044
Molecular FormulaC8H19FN2O2S
Molecular Weight226.32 g/mol
Exact Mass226.12
IUPAC Name3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide
SMILESCCCNCCNS(=O)(=O)CCCF
InChIInChI=1S/C8H19FN2O2S/c1-2-5-10-6-7-11-14(12,13)8-3-4-9/h10-11H,2-8H2,1H3
InChIKeyKYRYUVRMYVEIJK-UHFFFAOYSA-N
XLogP0.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 54972388
2-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009552
3-(propan-2-ylamino)-N-propyl-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009648
2-(ethylamino)-N-propyl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009649
N-ethyl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009696
N-propan-2-yl-2-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009697
N-propan-2-yl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009748
N-ethyl-3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 55009795
2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 55009797
4-amino-N-propyl-N-(2,2,2-trifluoroethyl)butane-1-sulfonamide
CID 55010472
N-methyl-N-{2-[(3,3,3-trifluoro-1-methylpropyl)amino]ethyl}methanesulfonamide
CID 56701258
3-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)propane-1-sulfonamide
CID 61546805

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide (CID 120716044) is 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide is CCCNCCNS(=O)(=O)CCCF.
What is the InChIKey of 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide?
The InChIKey is KYRYUVRMYVEIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19FN2O2S/c1-2-5-10-6-7-11-14(12,13)8-3-4-9/h10-11H,2-8H2,1H3.
What are the key properties of 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide?
3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide has a molecular weight of 226.32 g/mol, XLogP of 0.26, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(propylamino)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 120716044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).