N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide

C8H19NO3S — CID 156566666

IUPACN-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
SMILESCC(C)C(C)(CO)N(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)8(3,6-10)9(4)13(5,11)12/h7,10H,6H2,1-5H3
InChIKeyPVUQBMVFSMZKQQ-UHFFFAOYSA-N
MW209.31 g/mol
LogP0.28
Rot. Bonds4

About N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide

N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide (PubChem CID 156566666) has the molecular formula C8H19NO3S and a molecular weight of 209.31 g/mol. Its IUPAC name is N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
PubChem CID156566666
Molecular FormulaC8H19NO3S
Molecular Weight209.31 g/mol
Exact Mass209.11
IUPAC NameN-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide
SMILESCC(C)C(C)(CO)N(C)S(C)(=O)=O
InChIInChI=1S/C8H19NO3S/c1-7(2)8(3,6-10)9(4)13(5,11)12/h7,10H,6H2,1-5H3
InChIKeyPVUQBMVFSMZKQQ-UHFFFAOYSA-N
XLogP0.28
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide (CID 156566666) is N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide is CC(C)C(C)(CO)N(C)S(C)(=O)=O.
What is the InChIKey of N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide?
The InChIKey is PVUQBMVFSMZKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO3S/c1-7(2)8(3,6-10)9(4)13(5,11)12/h7,10H,6H2,1-5H3.
What are the key properties of N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide?
N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide has a molecular weight of 209.31 g/mol, XLogP of 0.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2,3-dimethylbutan-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 156566666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).