3-amino-3-cyclopropylpropane-1-sulfonyl fluoride

C6H12FNO2S — CID 165348927

IUPAC3-amino-3-cyclopropylpropane-1-sulfonyl fluoride
SMILESNC(CCS(=O)(=O)F)C1CC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)4-3-6(8)5-1-2-5/h5-6H,1-4,8H2
InChIKeyIUJJCCPIXGLWRK-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.41
Rot. Bonds4

About 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride

3-amino-3-cyclopropylpropane-1-sulfonyl fluoride (PubChem CID 165348927) has the molecular formula C6H12FNO2S and a molecular weight of 181.23 g/mol. Its IUPAC name is 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-amino-3-cyclopropylpropane-1-sulfonyl fluoride
PubChem CID165348927
Molecular FormulaC6H12FNO2S
Molecular Weight181.23 g/mol
Exact Mass181.06
IUPAC Name3-amino-3-cyclopropylpropane-1-sulfonyl fluoride
SMILESNC(CCS(=O)(=O)F)C1CC1
InChIInChI=1S/C6H12FNO2S/c7-11(9,10)4-3-6(8)5-1-2-5/h5-6H,1-4,8H2
InChIKeyIUJJCCPIXGLWRK-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride?
The IUPAC name of 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride (CID 165348927) is 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride?
The canonical SMILES for 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride is NC(CCS(=O)(=O)F)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride?
The InChIKey is IUJJCCPIXGLWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO2S/c7-11(9,10)4-3-6(8)5-1-2-5/h5-6H,1-4,8H2.
What are the key properties of 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride?
3-amino-3-cyclopropylpropane-1-sulfonyl fluoride has a molecular weight of 181.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropylpropane-1-sulfonyl fluoride is sourced from PubChem (CID 165348927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).