N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide

C9H19NO6S — CID 107845591

IUPACN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC(CO)(CO)CO)S(C)(=O)=O
InChIInChI=1S/C9H19NO6S/c1-8(2,17(3,15)16)7(14)10-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyKQMPWXXFGUKWAO-UHFFFAOYSA-N
MW269.32 g/mol
LogP-2.36
Rot. Bonds6

About N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide (PubChem CID 107845591) has the molecular formula C9H19NO6S and a molecular weight of 269.32 g/mol. Its IUPAC name is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
PubChem CID107845591
Molecular FormulaC9H19NO6S
Molecular Weight269.32 g/mol
Exact Mass269.09
IUPAC NameN-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide
SMILESCC(C)(C(=O)NC(CO)(CO)CO)S(C)(=O)=O
InChIInChI=1S/C9H19NO6S/c1-8(2,17(3,15)16)7(14)10-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14)
InChIKeyKQMPWXXFGUKWAO-UHFFFAOYSA-N
XLogP-2.36
TPSA123.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-octylsulfinylpropanamide
CID 44286460
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propylsulfanylpropanamide
CID 20826366
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-propylsulfanyl-2-tritiopropanamide
CID 60029532
N-(1,3-dihydroxy-2-methylpropan-2-yl)-3-methylsulfanylpropanamide
CID 81964806
3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide
CID 153438740
Sodium 2-[3-(2-hydroxyethylsulfanyl)propanoylamino]-2-methylpropane-1-sulfonate
CID 153562118
3-tert-butylsulfanyl-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]propanamide;methane
CID 158739032
2-(1,1-dioxothiolan-3-yl)sulfanyl-N-(1-hydroxy-2-methylpropan-2-yl)acetamide
CID 43500666
N-(1-hydroxy-2-methylpropan-2-yl)-3-methylsulfonylpropanamide
CID 43500826
N-[3-(hydroxymethyl)pentan-3-yl]-3-methylsulfonylpropanamide
CID 62520483
2-Methyl-2-[(2-methyl-2-methylsulfonylpropanoyl)amino]propanoic acid
CID 64016997
N-(1-hydroxybutan-2-yl)-2-methyl-2-methylsulfonylpropanamide
CID 64017932

Frequently Asked Questions

What is the IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide?
The IUPAC name of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide (CID 107845591) is N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide.
What is the SMILES notation for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide?
The canonical SMILES for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide is CC(C)(C(=O)NC(CO)(CO)CO)S(C)(=O)=O.
What is the InChIKey of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide?
The InChIKey is KQMPWXXFGUKWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO6S/c1-8(2,17(3,15)16)7(14)10-9(4-11,5-12)6-13/h11-13H,4-6H2,1-3H3,(H,10,14).
What are the key properties of N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide?
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide has a molecular weight of 269.32 g/mol, XLogP of -2.36, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-methyl-2-methylsulfonylpropanamide is sourced from PubChem (CID 107845591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).