1-(aminomethyl)cyclopropane-1-sulfonyl fluoride

C4H8FNO2S — CID 170909856

IUPAC1-(aminomethyl)cyclopropane-1-sulfonyl fluoride
SMILESNCC1(S(=O)(=O)F)CC1
InChIInChI=1S/C4H8FNO2S/c5-9(7,8)4(3-6)1-2-4/h1-3,6H2
InChIKeyGSCJGQMFUXICCB-UHFFFAOYSA-N
MW153.18 g/mol
LogP-0.22
Rot. Bonds2

About 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride

1-(aminomethyl)cyclopropane-1-sulfonyl fluoride (PubChem CID 170909856) has the molecular formula C4H8FNO2S and a molecular weight of 153.18 g/mol. Its IUPAC name is 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1-(aminomethyl)cyclopropane-1-sulfonyl fluoride
PubChem CID170909856
Molecular FormulaC4H8FNO2S
Molecular Weight153.18 g/mol
Exact Mass153.03
IUPAC Name1-(aminomethyl)cyclopropane-1-sulfonyl fluoride
SMILESNCC1(S(=O)(=O)F)CC1
InChIInChI=1S/C4H8FNO2S/c5-9(7,8)4(3-6)1-2-4/h1-3,6H2
InChIKeyGSCJGQMFUXICCB-UHFFFAOYSA-N
XLogP-0.22
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride?
The IUPAC name of 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride (CID 170909856) is 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride is NCC1(S(=O)(=O)F)CC1.
What is the InChIKey of 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride?
The InChIKey is GSCJGQMFUXICCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNO2S/c5-9(7,8)4(3-6)1-2-4/h1-3,6H2.
What are the key properties of 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride?
1-(aminomethyl)cyclopropane-1-sulfonyl fluoride has a molecular weight of 153.18 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)cyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 170909856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).