[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium

C11H24N3O2S+ — CID 7021817

IUPAC[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCSCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(N)=O
InChIInChI=1S/C11H23N3O2S/c1-7(2)6-8(12)11(16)14-9(10(13)15)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16)/p+1/t8-,9-/m0/s1
InChIKeyFMHTVEOMIPKKJG-IUCAKERBSA-O
MW262.40 g/mol
LogP-0.63
Rot. Bonds8

About [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium

[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium (PubChem CID 7021817) has the molecular formula C11H24N3O2S+ and a molecular weight of 262.40 g/mol. Its IUPAC name is [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium
PubChem CID7021817
Molecular FormulaC11H24N3O2S+
Molecular Weight262.40 g/mol
Exact Mass262.16
IUPAC Name[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium
SMILESCSCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(N)=O
InChIInChI=1S/C11H23N3O2S/c1-7(2)6-8(12)11(16)14-9(10(13)15)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16)/p+1/t8-,9-/m0/s1
InChIKeyFMHTVEOMIPKKJG-IUCAKERBSA-O
XLogP-0.63
TPSA99.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The IUPAC name of [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium (CID 7021817) is [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The canonical SMILES for [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium is CSCC[C@H](NC(=O)[C@@H]([NH3+])CC(C)C)C(N)=O.
What is the InChIKey of [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
The InChIKey is FMHTVEOMIPKKJG-IUCAKERBSA-O. The full InChI is InChI=1S/C11H23N3O2S/c1-7(2)6-8(12)11(16)14-9(10(13)15)4-5-17-3/h7-9H,4-6,12H2,1-3H3,(H2,13,15)(H,14,16)/p+1/t8-,9-/m0/s1.
What are the key properties of [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium?
[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium has a molecular weight of 262.40 g/mol, XLogP of -0.63, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]azanium is sourced from PubChem (CID 7021817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).