2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide

C8H18N2O5S — CID 107258283

IUPAC2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
SMILESCC(C)OCCS(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H18N2O5S/c1-6(2)15-3-4-16(13,14)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyAFHOVAZIDQBJCO-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.82
Rot. Bonds8

About 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide

2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide (PubChem CID 107258283) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide.

Molecular Properties

Compound Name2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
PubChem CID107258283
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide
SMILESCC(C)OCCS(=O)(=O)NCC(O)C(N)=O
InChIInChI=1S/C8H18N2O5S/c1-6(2)15-3-4-16(13,14)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12)
InChIKeyAFHOVAZIDQBJCO-UHFFFAOYSA-N
XLogP-1.82
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
N'-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)ethanimidamide
CID 79594323
N-(2-hydroxy-2-methylpropyl)-2-propan-2-yloxyethanesulfonamide
CID 79593878
N-(3-aminobutyl)-2-propan-2-yloxyethanesulfonamide
CID 79593799
(2S)-2-[[2-(2-propan-2-yloxyethylsulfonylamino)acetyl]amino]propanoic acid
CID 119238322
4-(2-propan-2-yloxyethylsulfonylamino)butanethioamide
CID 79593867
N-(2,2-difluoro-3-hydroxypropyl)-2-propan-2-yloxyethanesulfonamide
CID 104858720
4-(2-propan-2-yloxyethylsulfonylamino)butanoic acid
CID 79593674
3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 79601046
N-(2-chloroprop-2-enyl)-2-propan-2-yloxyethanesulfonamide
CID 115674519
N'-hydroxy-2,2-dimethyl-3-(2-propan-2-yloxyethylsulfonylamino)propanimidamide
CID 104873870
N'-hydroxy-4-(2-propan-2-yloxyethylsulfonylamino)butanimidamide
CID 79593807

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide?
The IUPAC name of 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide (CID 107258283) is 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide.
What is the SMILES notation for 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide?
The canonical SMILES for 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide is CC(C)OCCS(=O)(=O)NCC(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide?
The InChIKey is AFHOVAZIDQBJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(2)15-3-4-16(13,14)10-5-7(11)8(9)12/h6-7,10-11H,3-5H2,1-2H3,(H2,9,12).
What are the key properties of 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide?
2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide has a molecular weight of 254.31 g/mol, XLogP of -1.82, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-propan-2-yloxyethylsulfonylamino)propanamide is sourced from PubChem (CID 107258283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).