[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate

C10H19NO5S — CID 99793902

IUPAC[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate
SMILESCC(=O)CCCC(=O)O[C@@H](C)CNS(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-8(12)5-4-6-10(13)16-9(2)7-11-17(3,14)15/h9,11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyDOXLEQWEHKDWOI-VIFPVBQESA-N
MW265.33 g/mol
LogP0.23
Rot. Bonds8

About [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate

[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate (PubChem CID 99793902) has the molecular formula C10H19NO5S and a molecular weight of 265.33 g/mol. Its IUPAC name is [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate.

Molecular Properties

Compound Name[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate
PubChem CID99793902
Molecular FormulaC10H19NO5S
Molecular Weight265.33 g/mol
Exact Mass265.10
IUPAC Name[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate
SMILESCC(=O)CCCC(=O)O[C@@H](C)CNS(C)(=O)=O
InChIInChI=1S/C10H19NO5S/c1-8(12)5-4-6-10(13)16-9(2)7-11-17(3,14)15/h9,11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyDOXLEQWEHKDWOI-VIFPVBQESA-N
XLogP0.23
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(methanesulfonamido)propan-2-yl 3-[3-(dimethylamino)phenyl]propanoate
CID 119038620
methane;1-methoxyethyl 5-oxohexanoate
CID 159759084
bis(4-methylpentan-2-yl) pentanedioate
CID 87115694
1,3-bis[(2,2,2-trifluoroacetyl)amino]propan-2-yl 5-oxohexanoate
CID 102294114
dibutan-2-yl octanedioate
CID 593779
1-O-[(2R)-butan-2-yl] 9-O-[(2S)-butan-2-yl] nonanedioate
CID 92532862
[(2R)-1-(methanesulfonamido)propan-2-yl] (1S,2R,4S)-bicyclo[2.2.1]heptane-2-carboxylate
CID 98787940
bis(1-aminoethyl) pentanedioate
CID 155104048
methyl 7-oxooctanoate
CID 539108
1,3-dihydroxybutan-2-yl 12-oxotridecanoate
CID 164800880
dioctan-2-yl pentanedioate
CID 71404705
2-propan-2-yloxyethyl 5-oxohexanoate
CID 159219412

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate?
The IUPAC name of [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate (CID 99793902) is [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate.
What is the SMILES notation for [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate?
The canonical SMILES for [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate is CC(=O)CCCC(=O)O[C@@H](C)CNS(C)(=O)=O.
What is the InChIKey of [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate?
The InChIKey is DOXLEQWEHKDWOI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H19NO5S/c1-8(12)5-4-6-10(13)16-9(2)7-11-17(3,14)15/h9,11H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate?
[(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate has a molecular weight of 265.33 g/mol, XLogP of 0.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(methanesulfonamido)propan-2-yl] 5-oxohexanoate is sourced from PubChem (CID 99793902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).