N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide

C6H15NO3S — CID 146435596

IUPACN-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
SMILESCC[C@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(5-8)7(2)11(3,9)10/h6,8H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyRJUVEAGMJYBHQC-ZCFIWIBFSA-N
MW181.26 g/mol
LogP-0.35
Rot. Bonds4

About N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide

N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide (PubChem CID 146435596) has the molecular formula C6H15NO3S and a molecular weight of 181.26 g/mol. Its IUPAC name is N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
PubChem CID146435596
Molecular FormulaC6H15NO3S
Molecular Weight181.26 g/mol
Exact Mass181.08
IUPAC NameN-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
SMILESCC[C@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C6H15NO3S/c1-4-6(5-8)7(2)11(3,9)10/h6,8H,4-5H2,1-3H3/t6-/m1/s1
InChIKeyRJUVEAGMJYBHQC-ZCFIWIBFSA-N
XLogP-0.35
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
CID 127001380
N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide
CID 15321978
3-[1-hydroxybutan-2-yl(methylsulfonyl)amino]propanoic acid
CID 82326353
1-hydroxy-N-methyl-N-(1-methylsulfanylbutan-2-yl)propane-2-sulfonamide
CID 112666974
2-[1-hydroxybutan-2-yl(2-hydroxyethyl)amino]ethanesulfonic acid
CID 170223353
2-[methyl(pentan-3-yl)amino]propan-1-ol
CID 104554038
2-methylsulfonylbutan-1-ol
CID 117037681
3-[1-hydroxybutan-2-yl(methyl)amino]propanoic acid
CID 82328726
N-cyclopropyl-N-[(2R)-1-hydroxybutan-2-yl]propane-2-sulfonamide
CID 166767108
1-amino-2-[methyl(sulfamoyl)amino]butane
CID 131223214
(2R)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 103918549

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide (CID 146435596) is N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide is CC[C@H](CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is RJUVEAGMJYBHQC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H15NO3S/c1-4-6(5-8)7(2)11(3,9)10/h6,8H,4-5H2,1-3H3/t6-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide?
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 181.26 g/mol, XLogP of -0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 146435596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).