2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

C7H16N2O4S — CID 43363347

IUPAC2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCO
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)5-2-6(8)7(11)9-3-4-10/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyZOFBWDSPEVFQKG-UHFFFAOYSA-N
MW224.28 g/mol
LogP-2.14
Rot. Bonds6

About 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide

2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (PubChem CID 43363347) has the molecular formula C7H16N2O4S and a molecular weight of 224.28 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
PubChem CID43363347
Molecular FormulaC7H16N2O4S
Molecular Weight224.28 g/mol
Exact Mass224.08
IUPAC Name2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)NCCO
InChIInChI=1S/C7H16N2O4S/c1-14(12,13)5-2-6(8)7(11)9-3-4-10/h6,10H,2-5,8H2,1H3,(H,9,11)
InChIKeyZOFBWDSPEVFQKG-UHFFFAOYSA-N
XLogP-2.14
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-((2-Amino-4-(methylthio)butanoyl)amino)ethanesulfonic acid
CID 355554
2-amino-N-(2-hydroxyethyl)-4-methylsulfonyl-N-(2,2,2-trifluoroethyl)butanamide
CID 54874270
2-(ethylsulfonylamino)-4-methylsulfanyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103755800
N-(3,3-difluoro-2-hydroxypropyl)-2-(ethylsulfonylamino)-4-methylsulfanylbutanamide
CID 103769932
2-amino-4-methylsulfonyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
CID 103827545
2-amino-N-(2,2-difluoro-3-hydroxypropyl)-4-methylsulfonylbutanamide
CID 106176637
2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
CID 107479498
N-(2,2-difluoroethyl)-2-(ethylsulfonylamino)-N-(2-hydroxyethyl)-4-methylsulfanylbutanamide
CID 107482498
2-amino-N-(3,3-difluoro-2-hydroxypropyl)-4-methylsulfonylbutanamide
CID 113288492
2-amino-N-(2-hydroxyethyl)-3-(methylsulfanyl)propanamide
CID 154577108
N-(2-hydroxyethyl)-4-methylsulfanyl-2-(2-sulfanylethylamino)butanamide
CID 23177226
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propane-1-sulfonic acid
CID 25008460

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide (CID 43363347) is 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)NCCO.
What is the InChIKey of 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
The InChIKey is ZOFBWDSPEVFQKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O4S/c1-14(12,13)5-2-6(8)7(11)9-3-4-10/h6,10H,2-5,8H2,1H3,(H,9,11).
What are the key properties of 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide has a molecular weight of 224.28 g/mol, XLogP of -2.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43363347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).