(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride

C5H11FN2O2S — CID 167716667

IUPAC(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride
SMILESNC[C@@H]1CCCN1S(=O)(=O)F
InChIInChI=1S/C5H11FN2O2S/c6-11(9,10)8-3-1-2-5(8)4-7/h5H,1-4,7H2/t5-/m0/s1
InChIKeyMANDCDMPGWTRGV-YFKPBYRVSA-N
MW182.22 g/mol
LogP-0.38
Rot. Bonds2

About (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride

(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride (PubChem CID 167716667) has the molecular formula C5H11FN2O2S and a molecular weight of 182.22 g/mol. Its IUPAC name is (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride.

Molecular Properties

Compound Name(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride
PubChem CID167716667
Molecular FormulaC5H11FN2O2S
Molecular Weight182.22 g/mol
Exact Mass182.05
IUPAC Name(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride
SMILESNC[C@@H]1CCCN1S(=O)(=O)F
InChIInChI=1S/C5H11FN2O2S/c6-11(9,10)8-3-1-2-5(8)4-7/h5H,1-4,7H2/t5-/m0/s1
InChIKeyMANDCDMPGWTRGV-YFKPBYRVSA-N
XLogP-0.38
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride?
The IUPAC name of (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride (CID 167716667) is (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride.
What is the SMILES notation for (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride?
The canonical SMILES for (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride is NC[C@@H]1CCCN1S(=O)(=O)F.
What is the InChIKey of (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride?
The InChIKey is MANDCDMPGWTRGV-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11FN2O2S/c6-11(9,10)8-3-1-2-5(8)4-7/h5H,1-4,7H2/t5-/m0/s1.
What are the key properties of (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride?
(2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride has a molecular weight of 182.22 g/mol, XLogP of -0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(aminomethyl)pyrrolidine-1-sulfonyl fluoride is sourced from PubChem (CID 167716667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).