N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide

C7H17NO3S — CID 59560469

IUPACN-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@](C)(CO)NS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(2)7(3,5-9)8-12(4,10)11/h6,8-9H,5H2,1-4H3/t7-/m1/s1
InChIKeyYXJNWAIWXQGRQQ-SSDOTTSWSA-N
MW195.28 g/mol
LogP-0.06
Rot. Bonds4

About N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide

N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide (PubChem CID 59560469) has the molecular formula C7H17NO3S and a molecular weight of 195.28 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide
PubChem CID59560469
Molecular FormulaC7H17NO3S
Molecular Weight195.28 g/mol
Exact Mass195.09
IUPAC NameN-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@](C)(CO)NS(C)(=O)=O
InChIInChI=1S/C7H17NO3S/c1-6(2)7(3,5-9)8-12(4,10)11/h6,8-9H,5H2,1-4H3/t7-/m1/s1
InChIKeyYXJNWAIWXQGRQQ-SSDOTTSWSA-N
XLogP-0.06
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide (CID 59560469) is N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide is CC(C)[C@@](C)(CO)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide?
The InChIKey is YXJNWAIWXQGRQQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO3S/c1-6(2)7(3,5-9)8-12(4,10)11/h6,8-9H,5H2,1-4H3/t7-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide?
N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide has a molecular weight of 195.28 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-2,3-dimethylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 59560469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).