(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide

C10H22N2O2S — CID 104863936

IUPAC(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C(C)(C)CO
InChIInChI=1S/C10H22N2O2S/c1-10(2,7-13)12(3)9(14)8(11)5-6-15-4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1
InChIKeyBVBYOYXEUBFINZ-QMMMGPOBSA-N
MW234.36 g/mol
LogP0.30
Rot. Bonds6

About (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide

(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide (PubChem CID 104863936) has the molecular formula C10H22N2O2S and a molecular weight of 234.36 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
PubChem CID104863936
Molecular FormulaC10H22N2O2S
Molecular Weight234.36 g/mol
Exact Mass234.14
IUPAC Name(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)N(C)C(C)(C)CO
InChIInChI=1S/C10H22N2O2S/c1-10(2,7-13)12(3)9(14)8(11)5-6-15-4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1
InChIKeyBVBYOYXEUBFINZ-QMMMGPOBSA-N
XLogP0.30
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.36
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
CID 113475611
(2R)-2-amino-N-(2-hydroxypropyl)-N-methyl-4-methylsulfanylbutanamide
CID 104908350
(2S)-2-amino-N-ethyl-N-methyl-4-methylsulfanylbutanamide
CID 61154496
(2S)-2-amino-N-methyl-N-(3-methylbutyl)-4-methylsulfanylbutanamide
CID 61165499
(2S)-2-amino-N-(2,2-difluoroethyl)-N-methyl-4-methylsulfanylbutanamide
CID 103795919
(2R)-2-amino-N-methoxy-N-methyl-4-methylsulfanylbutanamide
CID 104908209
(2R)-2-amino-N-(2-methylpropyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104907733
(2R)-2-amino-4-methylsulfanyl-N,N-dipropylbutanamide
CID 104906715
(2S)-2-amino-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 61163636
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]-tert-butylamino]propanoic acid
CID 61161090

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide (CID 104863936) is (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)N(C)C(C)(C)CO.
What is the InChIKey of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide?
The InChIKey is BVBYOYXEUBFINZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H22N2O2S/c1-10(2,7-13)12(3)9(14)8(11)5-6-15-4/h8,13H,5-7,11H2,1-4H3/t8-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide?
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide has a molecular weight of 234.36 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide is sourced from PubChem (CID 104863936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).