(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide

C10H22N2O3S2 — CID 79549856

IUPAC(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S2/c1-10(2,17(4,14)15)7-12-9(13)8(11)5-6-16-3/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyZPXVQUNGLQGSNQ-QMMMGPOBSA-N
MW282.43 g/mol
LogP0.01
Rot. Bonds7

About (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide

(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide (PubChem CID 79549856) has the molecular formula C10H22N2O3S2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
PubChem CID79549856
Molecular FormulaC10H22N2O3S2
Molecular Weight282.43 g/mol
Exact Mass282.11
IUPAC Name(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O
InChIInChI=1S/C10H22N2O3S2/c1-10(2,17(4,14)15)7-12-9(13)8(11)5-6-16-3/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1
InChIKeyZPXVQUNGLQGSNQ-QMMMGPOBSA-N
XLogP0.01
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 103461634
(2S)-2-amino-4-methylsulfanyl-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
CID 119290996
(2R)-2-amino-N-(4-hydroxy-2,2-dimethylbutyl)-4-methylsulfanylbutanamide
CID 106148043
ethyl 2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 5095988
(2S)-2-amino-4-methylsulfanyl-N-(2-methylsulfanylethyl)butanamide
CID 63959512
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
2-amino-5-methoxy-N-(2-methyl-2-methylsulfonylpropyl)pentanamide
CID 81102476
3-amino-4-[(2-methyl-2-methylsulfonylpropyl)amino]-4-oxobutanoic acid
CID 79550317
2-[(2-amino-4-methylsulfanylbutanoyl)amino]acetate
CID 102454632
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
CID 106247844
(2S)-2-amino-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79551034
(2S)-2-amino-N-[2-(carbamoylamino)ethyl]-4-methylsulfanylbutanamide
CID 81432984

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide (CID 79549856) is (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)NCC(C)(C)S(C)(=O)=O.
What is the InChIKey of (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide?
The InChIKey is ZPXVQUNGLQGSNQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O3S2/c1-10(2,17(4,14)15)7-12-9(13)8(11)5-6-16-3/h8H,5-7,11H2,1-4H3,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide has a molecular weight of 282.43 g/mol, XLogP of 0.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide is sourced from PubChem (CID 79549856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).