2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid

C11H24N2O3S — CID 22221645

IUPAC2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid
SMILES[H]N=S(=O)(CCCC)CCC(N)(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-5-7-17(13,16)8-6-11(12,9(2)3)10(14)15/h9,13H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyCISLQXBENZUJQP-UHFFFAOYSA-N
MW264.39 g/mol
LogP1.66
Rot. Bonds8

About 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid

2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid (PubChem CID 22221645) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid
PubChem CID22221645
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid
SMILES[H]N=S(=O)(CCCC)CCC(N)(C(=O)O)C(C)C
InChIInChI=1S/C11H24N2O3S/c1-4-5-7-17(13,16)8-6-11(12,9(2)3)10(14)15/h9,13H,4-8,12H2,1-3H3,(H,14,15)
InChIKeyCISLQXBENZUJQP-UHFFFAOYSA-N
XLogP1.66
TPSA104.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethylmethionine sulfoximine
CID 25047483
2-(2-Hydroxyethyl)-thioethyl-valine
CID 155294647
CID 128339
CID 128339
Isovaline, 4-(S-methylsulfonimidoyl)-
CID 10352616
(2R)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid
CID 18709904
(2S)-2-amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
CID 18709905
(2S)-2-amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
CID 18709907
(2S)-2-amino-2-ethyl-4-(methylsulfonimidoyl)butanoic acid
CID 20639634
2-Amino-2-[2-(butylsulfonimidoyl)ethyl]pentanoic acid
CID 22221641
2-Amino-4-(butylsulfonimidoyl)-2-ethylbutanoic acid
CID 22221642
2-Amino-4-butylsulfanyl-2-ethylbutanoic acid
CID 22221654
(2S)-2-amino-4-(butylsulfonimidoyl)-2-methylbutanoic acid
CID 22858030

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid?
The IUPAC name of 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid (CID 22221645) is 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid.
What is the SMILES notation for 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid?
The canonical SMILES for 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid is [H]N=S(=O)(CCCC)CCC(N)(C(=O)O)C(C)C.
What is the InChIKey of 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid?
The InChIKey is CISLQXBENZUJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-5-7-17(13,16)8-6-11(12,9(2)3)10(14)15/h9,13H,4-8,12H2,1-3H3,(H,14,15).
What are the key properties of 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid?
2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid has a molecular weight of 264.39 g/mol, XLogP of 1.66, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-(butylsulfonimidoyl)ethyl]-3-methylbutanoic acid is sourced from PubChem (CID 22221645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).