N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide

C6H15NO6S2 — CID 65314172

IUPACN-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(CO)CO
InChIInChI=1S/C6H15NO6S2/c1-14(10,11)2-3-15(12,13)7-6(4-8)5-9/h6-9H,2-5H2,1H3
InChIKeySSPOSMCBYHSVFO-UHFFFAOYSA-N
MW261.32 g/mol
LogP-2.70
Rot. Bonds7

About N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide

N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide (PubChem CID 65314172) has the molecular formula C6H15NO6S2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
PubChem CID65314172
Molecular FormulaC6H15NO6S2
Molecular Weight261.32 g/mol
Exact Mass261.03
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
SMILESCS(=O)(=O)CCS(=O)(=O)NC(CO)CO
InChIInChI=1S/C6H15NO6S2/c1-14(10,11)2-3-15(12,13)7-6(4-8)5-9/h6-9H,2-5H2,1H3
InChIKeySSPOSMCBYHSVFO-UHFFFAOYSA-N
XLogP-2.70
TPSA120.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 5-2.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxybutan-2-yl)-2-methylsulfonylethanesulfonamide
CID 115477904
N-(1-bromo-4-methylpentan-2-yl)-2-methylsulfonylethanesulfonamide
CID 114297331
N-(1-amino-3-methoxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 106181408
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-hex-5-yn-3-yl-2-methylsulfonylethanesulfonamide
CID 115650472
(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
CID 104935336
3-chloro-N-(1,3-dihydroxypropan-2-yl)-2-methylpropane-1-sulfonamide
CID 79588967
N-methoxy-2-methylsulfonylethanesulfonamide
CID 64973848
2-(methylsulfamoylamino)propane-1,3-diol
CID 114809585
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide (CID 65314172) is N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide is CS(=O)(=O)CCS(=O)(=O)NC(CO)CO.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
The InChIKey is SSPOSMCBYHSVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO6S2/c1-14(10,11)2-3-15(12,13)7-6(4-8)5-9/h6-9H,2-5H2,1H3.
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide?
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of -2.70, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide is sourced from PubChem (CID 65314172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).