2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide

C10H22N2O4S2 — CID 106247844

IUPAC2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
SMILESCSCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-10(14,7-17-2)6-12-9(13)8(11)4-5-18(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyRFVQRKGJUMXTNL-UHFFFAOYSA-N
MW298.43 g/mol
LogP-1.02
Rot. Bonds8

About 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide

2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide (PubChem CID 106247844) has the molecular formula C10H22N2O4S2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
PubChem CID106247844
Molecular FormulaC10H22N2O4S2
Molecular Weight298.43 g/mol
Exact Mass298.10
IUPAC Name2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide
SMILESCSCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S2/c1-10(14,7-17-2)6-12-9(13)8(11)4-5-18(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyRFVQRKGJUMXTNL-UHFFFAOYSA-N
XLogP-1.02
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)hexanamide
CID 106247694
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
(2S)-2-amino-N-(2-methyl-2-methylsulfonylpropyl)-4-methylsulfanylbutanamide
CID 79549856
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
4-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pentanamide
CID 106247633
4-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 66003561
2-amino-N-(2,2-dimethyl-3-phenylpropyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957521
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-(5,5-dimethylhexyl)-4-methylsulfonylbutanamide;hydrochloride
CID 119957267
2-amino-N-(2-methyl-2-morpholin-4-ylpropyl)-4-methylsulfonylbutanamide
CID 61248281
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide (CID 106247844) is 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide is CSCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide?
The InChIKey is RFVQRKGJUMXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S2/c1-10(14,7-17-2)6-12-9(13)8(11)4-5-18(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide has a molecular weight of 298.43 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 106247844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).