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

C10H22N2O4S — CID 113475611

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C(C)(C)CO
InChIInChI=1S/C10H22N2O4S/c1-10(2,7-13)12(3)9(14)8(11)5-6-17(4,15)16/h8,13H,5-7,11H2,1-4H3
InChIKeyZTSWDFMDHCNBRM-UHFFFAOYSA-N
MW266.36 g/mol
LogP-1.02
Rot. Bonds6

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

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide (PubChem CID 113475611) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
PubChem CID113475611
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
SMILESCN(C(=O)C(N)CCS(C)(=O)=O)C(C)(C)CO
InChIInChI=1S/C10H22N2O4S/c1-10(2,7-13)12(3)9(14)8(11)5-6-17(4,15)16/h8,13H,5-7,11H2,1-4H3
InChIKeyZTSWDFMDHCNBRM-UHFFFAOYSA-N
XLogP-1.02
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
(2S)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfanylbutanamide
CID 104863936
2-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]propanoic acid
CID 62638917
2-amino-N-methyl-4-methylsulfonyl-N-propylbutanamide
CID 43271338
2-amino-N,N-bis(3-methylbutyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119955717
methyl 3-[(2-amino-4-methylsulfonylbutanoyl)-methylamino]-2-methylpropanoate
CID 54873448
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905545
2-amino-N-(1-methoxypropan-2-yl)-N-methyl-4-methylsulfonylbutanamide
CID 60947484
(2S)-2-amino-N-methyl-N-(2-methylsulfonylethyl)pentanamide
CID 107570108
4-amino-5-[methyl(2-methylbutan-2-yl)amino]-5-oxopentanoic acid
CID 64888587
2-amino-N-methyl-N-[3-(methylamino)-3-oxopropyl]-4-methylsulfonylbutanamide
CID 103827599
(2R)-2-amino-N-methyl-N-(2-methylbutan-2-yl)-4-methylsulfanylbutanamide
CID 104908509

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide (CID 113475611) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide is CN(C(=O)C(N)CCS(C)(=O)=O)C(C)(C)CO.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
The InChIKey is ZTSWDFMDHCNBRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-10(2,7-13)12(3)9(14)8(11)5-6-17(4,15)16/h8,13H,5-7,11H2,1-4H3.
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide has a molecular weight of 266.36 g/mol, XLogP of -1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methyl-4-methylsulfonylbutanamide is sourced from PubChem (CID 113475611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).