N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide

C6H15NO5S2 — CID 104981929

IUPACN-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H15NO5S2/c1-3-6(4-8)7-14(11,12)5-13(2,9)10/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGGMWZMHDRDOCMW-LURJTMIESA-N
MW245.32 g/mol
LogP-1.32
Rot. Bonds6

About N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide

N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide (PubChem CID 104981929) has the molecular formula C6H15NO5S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
PubChem CID104981929
Molecular FormulaC6H15NO5S2
Molecular Weight245.32 g/mol
Exact Mass245.04
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CS(C)(=O)=O
InChIInChI=1S/C6H15NO5S2/c1-3-6(4-8)7-14(11,12)5-13(2,9)10/h6-8H,3-5H2,1-2H3/t6-/m0/s1
InChIKeyGGMWZMHDRDOCMW-LURJTMIESA-N
XLogP-1.32
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
N-(1,3-dihydroxypropan-2-yl)-2-methylsulfonylethanesulfonamide
CID 65314172
2-(dimethylsulfamoylamino)-1-hydroxybutane
CID 43501763
N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 104981847
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549
(2S)-2-(propylsulfamoylamino)butan-1-ol
CID 104981941
N-[(2S)-1-hydroxybutan-2-yl]cyclopropanesulfonamide
CID 104982018
(2R)-2-(tert-butylsulfamoylamino)butan-1-ol
CID 104978099

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide (CID 104981929) is N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide is CC[C@@H](CO)NS(=O)(=O)CS(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide?
The InChIKey is GGMWZMHDRDOCMW-LURJTMIESA-N. The full InChI is InChI=1S/C6H15NO5S2/c1-3-6(4-8)7-14(11,12)5-13(2,9)10/h6-8H,3-5H2,1-2H3/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide has a molecular weight of 245.32 g/mol, XLogP of -1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide is sourced from PubChem (CID 104981929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).