1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine

C8H18FNO2S — CID 115901521

IUPAC1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCCF
InChIInChI=1S/C8H18FNO2S/c1-3-13(11,12)7-8(2)10-6-4-5-9/h8,10H,3-7H2,1-2H3
InChIKeyXPUHBSMFDHNFBA-UHFFFAOYSA-N
MW211.30 g/mol
LogP0.76
Rot. Bonds7

About 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine

1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine (PubChem CID 115901521) has the molecular formula C8H18FNO2S and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
PubChem CID115901521
Molecular FormulaC8H18FNO2S
Molecular Weight211.30 g/mol
Exact Mass211.10
IUPAC Name1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine
SMILESCCS(=O)(=O)CC(C)NCCCF
InChIInChI=1S/C8H18FNO2S/c1-3-13(11,12)7-8(2)10-6-4-5-9/h8,10H,3-7H2,1-2H3
InChIKeyXPUHBSMFDHNFBA-UHFFFAOYSA-N
XLogP0.76
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)hexan-1-amine
CID 115900569
3-(1-ethylsulfonylpropan-2-ylamino)propan-1-ol
CID 115900563
N-(3-fluoropropyl)butan-2-amine
CID 81107286
N-(1-ethylsulfonylpropan-2-yl)-5,5,5-trifluoropentan-1-amine
CID 113350885
N-(1-methylsulfonylpropan-2-yl)heptan-1-amine
CID 64629373
3-(3-fluoropropylamino)butan-1-ol
CID 83177066
N-(2-tert-butylsulfanylethyl)-1-ethylsulfonylpropan-2-amine
CID 115901279
sodium;2-(dodecylamino)propane-1-sulfonic acid;hydride
CID 173241970
N-(3-ethylsulfonylpropyl)heptan-2-amine
CID 65093312
1-(3-methylbutylsulfonyl)-N-propylpropan-2-amine
CID 107760352
N-(3-ethylsulfonylpropyl)pentan-2-amine
CID 65093932
N-(1-ethylsulfonylpropan-2-yl)-2,3-dimethylbutan-1-amine
CID 115901103

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine?
The IUPAC name of 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine (CID 115901521) is 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine.
What is the SMILES notation for 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine?
The canonical SMILES for 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine is CCS(=O)(=O)CC(C)NCCCF.
What is the InChIKey of 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine?
The InChIKey is XPUHBSMFDHNFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2S/c1-3-13(11,12)7-8(2)10-6-4-5-9/h8,10H,3-7H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine?
1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine has a molecular weight of 211.30 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(3-fluoropropyl)propan-2-amine is sourced from PubChem (CID 115901521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).