(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid

C8H16F3N3O3S — CID 170769712

IUPAC(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CCC(N)C(F)(F)F)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)6(13)2-4-18(14,17)3-1-5(12)7(15)16/h5-6,14H,1-4,12-13H2,(H,15,16)/t5-,6?,18?/m0/s1
InChIKeySZFDICICHZLSOM-JVRBKTJKSA-N
MW291.29 g/mol
LogP0.11
Rot. Bonds7

About (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid

(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid (PubChem CID 170769712) has the molecular formula C8H16F3N3O3S and a molecular weight of 291.29 g/mol. Its IUPAC name is (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid
PubChem CID170769712
Molecular FormulaC8H16F3N3O3S
Molecular Weight291.29 g/mol
Exact Mass291.09
IUPAC Name(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid
SMILES[H]N=S(=O)(CCC(N)C(F)(F)F)CC[C@H](N)C(=O)O
InChIInChI=1S/C8H16F3N3O3S/c9-8(10,11)6(13)2-4-18(14,17)3-1-5(12)7(15)16/h5-6,14H,1-4,12-13H2,(H,15,16)/t5-,6?,18?/m0/s1
InChIKeySZFDICICHZLSOM-JVRBKTJKSA-N
XLogP0.11
TPSA130.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid?
The IUPAC name of (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid (CID 170769712) is (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid.
What is the SMILES notation for (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid?
The canonical SMILES for (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid is [H]N=S(=O)(CCC(N)C(F)(F)F)CC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid?
The InChIKey is SZFDICICHZLSOM-JVRBKTJKSA-N. The full InChI is InChI=1S/C8H16F3N3O3S/c9-8(10,11)6(13)2-4-18(14,17)3-1-5(12)7(15)16/h5-6,14H,1-4,12-13H2,(H,15,16)/t5-,6?,18?/m0/s1.
What are the key properties of (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid?
(2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid has a molecular weight of 291.29 g/mol, XLogP of 0.11, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-[(3-amino-4,4,4-trifluorobutyl)sulfonimidoyl]butanoic acid is sourced from PubChem (CID 170769712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).