1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide

C14H21FN2O2S — CID 106000348

IUPAC1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-10(9-16-14-6-7-14)20(18,19)17-11(2)12-4-3-5-13(15)8-12/h3-5,8,10-11,14,16-17H,6-7,9H2,1-2H3
InChIKeyMUDXTGHKZWLKTI-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.95
Rot. Bonds7

About 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide

1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide (PubChem CID 106000348) has the molecular formula C14H21FN2O2S and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
PubChem CID106000348
Molecular FormulaC14H21FN2O2S
Molecular Weight300.40 g/mol
Exact Mass300.13
IUPAC Name1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
SMILESCC(NS(=O)(=O)C(C)CNC1CC1)c1cccc(F)c1
InChIInChI=1S/C14H21FN2O2S/c1-10(9-16-14-6-7-14)20(18,19)17-11(2)12-4-3-5-13(15)8-12/h3-5,8,10-11,14,16-17H,6-7,9H2,1-2H3
InChIKeyMUDXTGHKZWLKTI-UHFFFAOYSA-N
XLogP1.95
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
N'-cyclopropyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 117242573
1-(cyclopropylamino)-N-(1-phenylpropyl)propane-2-sulfonamide
CID 106055064
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
2-(cyclopentylamino)-N-[(1S)-1-(3-fluorophenyl)ethyl]acetamide
CID 81366185
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
N-[2-(3-fluorophenyl)-2-[(2-methylpropan-2-yl)oxy]ethyl]cyclopropanamine
CID 62106068
N-[2-(3-fluorophenyl)-4-methylheptyl]cyclopropanamine
CID 79440904
1-(3-fluorophenyl)-2-[(3-methylcyclopentyl)amino]ethanol
CID 115652821

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The IUPAC name of 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide (CID 106000348) is 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide.
What is the SMILES notation for 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The canonical SMILES for 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide is CC(NS(=O)(=O)C(C)CNC1CC1)c1cccc(F)c1.
What is the InChIKey of 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
The InChIKey is MUDXTGHKZWLKTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O2S/c1-10(9-16-14-6-7-14)20(18,19)17-11(2)12-4-3-5-13(15)8-12/h3-5,8,10-11,14,16-17H,6-7,9H2,1-2H3.
What are the key properties of 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide?
1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide has a molecular weight of 300.40 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-N-[1-(3-fluorophenyl)ethyl]propane-2-sulfonamide is sourced from PubChem (CID 106000348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).