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

C5H13NO3S — CID 127001380

IUPACN-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
SMILESC[C@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3/t5-/m1/s1
InChIKeyCFLJIPFNTOZEOR-RXMQYKEDSA-N
MW167.23 g/mol
LogP-0.74
Rot. Bonds3

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

N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide (PubChem CID 127001380) has the molecular formula C5H13NO3S and a molecular weight of 167.23 g/mol. Its IUPAC name is N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
PubChem CID127001380
Molecular FormulaC5H13NO3S
Molecular Weight167.23 g/mol
Exact Mass167.06
IUPAC NameN-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide
SMILESC[C@H](CO)N(C)S(C)(=O)=O
InChIInChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3/t5-/m1/s1
InChIKeyCFLJIPFNTOZEOR-RXMQYKEDSA-N
XLogP-0.74
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methylmethanesulfonamide
CID 87281445
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-N-methylmethanesulfonamide
CID 15321978
N-[(2R)-1-hydroxybutan-2-yl]-N-methylmethanesulfonamide
CID 146435596
N-(1-hydroxypropan-2-yl)-N-methyloxetane-3-sulfonamide
CID 136535164
propan-2-yl N-[1-hydroxypropan-2-yl(methyl)sulfamoyl]carbamate
CID 114464359
N-(1-hydroxypropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 115875785
N-(1-hydroxypropan-2-yl)-N,2-dimethylpyrazole-3-sulfonamide
CID 104710142
2-chloro-N-(1-hydroxypropan-2-yl)-N-methyl-5-methylsulfonylbenzenesulfonamide
CID 115776360
2-[[benzyl(methyl)sulfamoyl]-methylamino]propan-1-ol
CID 112548547
N-[(2S)-1-hydroxypropan-2-yl]-N-methyl-4-(2-methylpropyl)benzenesulfonamide
CID 97083157
2-bromo-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 104551581
(2S)-2-[2-hydroxypropan-2-yl(methyl)amino]propan-1-ol
CID 93483386

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide (CID 127001380) is N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide is C[C@H](CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide?
The InChIKey is CFLJIPFNTOZEOR-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13NO3S/c1-5(4-7)6(2)10(3,8)9/h5,7H,4H2,1-3H3/t5-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide?
N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide has a molecular weight of 167.23 g/mol, XLogP of -0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxypropan-2-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 127001380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).