(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide

C7H16FN3O2S — CID 130610198

IUPAC(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C7H16FN3O2S/c1-10(2)14(12,13)11-5-6(8)3-7(11)4-9/h6-7H,3-5,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyAYOAHLYIHNWNNZ-BQBZGAKWSA-N
MW225.29 g/mol
LogP-0.84
Rot. Bonds3

About (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide

(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide (PubChem CID 130610198) has the molecular formula C7H16FN3O2S and a molecular weight of 225.29 g/mol. Its IUPAC name is (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound Name(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide
PubChem CID130610198
Molecular FormulaC7H16FN3O2S
Molecular Weight225.29 g/mol
Exact Mass225.09
IUPAC Name(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide
SMILESCN(C)S(=O)(=O)N1C[C@@H](F)C[C@H]1CN
InChIInChI=1S/C7H16FN3O2S/c1-10(2)14(12,13)11-5-6(8)3-7(11)4-9/h6-7H,3-5,9H2,1-2H3/t6-,7-/m0/s1
InChIKeyAYOAHLYIHNWNNZ-BQBZGAKWSA-N
XLogP-0.84
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide?
The IUPAC name of (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide (CID 130610198) is (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide.
What is the SMILES notation for (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide?
The canonical SMILES for (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide is CN(C)S(=O)(=O)N1C[C@@H](F)C[C@H]1CN.
What is the InChIKey of (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide?
The InChIKey is AYOAHLYIHNWNNZ-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H16FN3O2S/c1-10(2)14(12,13)11-5-6(8)3-7(11)4-9/h6-7H,3-5,9H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide?
(2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide has a molecular weight of 225.29 g/mol, XLogP of -0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(aminomethyl)-4-fluoro-N,N-dimethylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 130610198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).