2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide

C8H18N2O5S — CID 66168706

IUPAC2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O5S/c1-16(14,15)3-2-7(9)8(13)10-4-6(12)5-11/h6-7,11-12H,2-5,9H2,1H3,(H,10,13)
InChIKeyAQHZRMLUGFWWOK-UHFFFAOYSA-N
MW254.31 g/mol
LogP-2.78
Rot. Bonds7

About 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide

2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide (PubChem CID 66168706) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
PubChem CID66168706
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCC(O)CO
InChIInChI=1S/C8H18N2O5S/c1-16(14,15)3-2-7(9)8(13)10-4-6(12)5-11/h6-7,11-12H,2-5,9H2,1H3,(H,10,13)
InChIKeyAQHZRMLUGFWWOK-UHFFFAOYSA-N
XLogP-2.78
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-2.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2-hydroxy-4-methylpentyl)-4-methylsulfonylbutanamide
CID 103827722
2-amino-N-(4-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
CID 66091622
2-amino-N-ethyl-4-methylsulfonylbutanamide
CID 24697380
4-amino-5-(2,3-dihydroxypropylamino)-5-oxopentanoic acid
CID 66168915
2-amino-N-[2-(dimethylamino)propyl]-4-methylsulfonylbutanamide
CID 54913489
2-amino-N-(2-methoxypropyl)-4-methylsulfonylbutanamide
CID 102694855
2-amino-N-butyl-4-methylsulfonylbutanamide
CID 24690618
3-[(2-amino-4-methylsulfonylbutanoyl)amino]-2,2-dimethylpropanoic acid
CID 113307979
2-amino-N-(2,2-diphenylethyl)-4-methylsulfonylbutanamide
CID 119956068
methyl 2-[(2-amino-4-methylsulfonylbutanoyl)amino]acetate
CID 60914301
2-amino-N-[2-[di(propan-2-yl)amino]ethyl]-4-methylsulfonylbutanamide
CID 43098583
(3S)-3-[[(2-amino-4-methylsulfonylbutanoyl)amino]methyl]-5-methylhexanoic acid
CID 65494336

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide (CID 66168706) is 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCC(O)CO.
What is the InChIKey of 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide?
The InChIKey is AQHZRMLUGFWWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-16(14,15)3-2-7(9)8(13)10-4-6(12)5-11/h6-7,11-12H,2-5,9H2,1H3,(H,10,13).
What are the key properties of 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide?
2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide has a molecular weight of 254.31 g/mol, XLogP of -2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydroxypropyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 66168706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).