N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide

C7H15NO7S — CID 91001495

IUPACN-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CO)C(=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO7S/c1-16(14,15)8-4(2-9)6(12)7(13)5(11)3-10/h4-5,7-11,13H,2-3H2,1H3/t4-,5+,7-/m0/s1
InChIKeyMKPAGRWWTZFHAL-BFHQHQDPSA-N
MW257.26 g/mol
LogP-3.82
Rot. Bonds7

About N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide

N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide (PubChem CID 91001495) has the molecular formula C7H15NO7S and a molecular weight of 257.26 g/mol. Its IUPAC name is N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide
PubChem CID91001495
Molecular FormulaC7H15NO7S
Molecular Weight257.26 g/mol
Exact Mass257.06
IUPAC NameN-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide
SMILESCS(=O)(=O)N[C@@H](CO)C(=O)[C@@H](O)[C@H](O)CO
InChIInChI=1S/C7H15NO7S/c1-16(14,15)8-4(2-9)6(12)7(13)5(11)3-10/h4-5,7-11,13H,2-3H2,1H3/t4-,5+,7-/m0/s1
InChIKeyMKPAGRWWTZFHAL-BFHQHQDPSA-N
XLogP-3.82
TPSA144.16 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-3.82
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide with MolForge

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Related Compounds

5-(dimethylamino)-N-[(2S,4R,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]naphthalene-1-sulfonamide
CID 54562643
(2S,3S,5R)-1,2,3,5,6-pentahydroxyheptan-4-one
CID 54092437
3-[[(2S,4R,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]amino]oxypropanoic acid
CID 57308596
(2S,4R,5S)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303435
2,4,5,6-tetrahydroxy-3-oxohexanoic acid
CID 95
(4R,5R)-1-fluoro-1,2,4,5,6-pentahydroxyhexan-3-one
CID 54303436
(2S,4R,5R)-2,4,5,6-tetrahydroxy-1-(hydroxyamino)hexan-3-one
CID 54075465
(2R,3R)-1,2,3,5-tetrahydroxy-6-methoxyheptan-4-one
CID 54201894
(2R,3R)-1,2,3,5,7-pentahydroxyheptan-4-one
CID 56630304
N-(1-hydroxy-4-methylpentan-2-yl)-2-(methanesulfonamido)-4-methylpentanamide
CID 61245348
(2R)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-(methanesulfonamido)-4-methylpentanamide
CID 10781140
(2R,4R,5S)-2,4,5,6-tetrahydroxy-1-(propylamino)hexan-3-one
CID 54195280

Frequently Asked Questions

What is the IUPAC name of N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide (CID 91001495) is N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide is CS(=O)(=O)N[C@@H](CO)C(=O)[C@@H](O)[C@H](O)CO.
What is the InChIKey of N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide?
The InChIKey is MKPAGRWWTZFHAL-BFHQHQDPSA-N. The full InChI is InChI=1S/C7H15NO7S/c1-16(14,15)8-4(2-9)6(12)7(13)5(11)3-10/h4-5,7-11,13H,2-3H2,1H3/t4-,5+,7-/m0/s1.
What are the key properties of N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide?
N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide has a molecular weight of 257.26 g/mol, XLogP of -3.82, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,4S,5R)-1,4,5,6-tetrahydroxy-3-oxohexan-2-yl]methanesulfonamide is sourced from PubChem (CID 91001495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).