N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide

C9H21NO4S — CID 104981847

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H21NO4S/c1-4-9(7-11)10-15(12,13)6-5-14-8(2)3/h8-11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyKEZBMLIVJUMEMH-VIFPVBQESA-N
MW239.34 g/mol
LogP0.10
Rot. Bonds8

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

N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide (PubChem CID 104981847) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
PubChem CID104981847
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
SMILESCC[C@@H](CO)NS(=O)(=O)CCOC(C)C
InChIInChI=1S/C9H21NO4S/c1-4-9(7-11)10-15(12,13)6-5-14-8(2)3/h8-11H,4-7H2,1-3H3/t9-/m0/s1
InChIKeyKEZBMLIVJUMEMH-VIFPVBQESA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide
CID 103918606
N-[(2R)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 103918485
N-[(2S)-1-hydroxybutan-2-yl]-2-methylpropane-1-sulfonamide
CID 104981900
N-(1-amino-4-methylpentan-2-yl)-2-propan-2-yloxyethanesulfonamide;hydrochloride
CID 119983116
N-hex-1-yn-3-yl-2-propan-2-yloxyethanesulfonamide
CID 106898849
N-[(2S)-1-hydroxybutan-2-yl]-1-methylsulfonylmethanesulfonamide
CID 104981929
N-(1-hydroxybutan-2-yl)-1-methylsulfonylmethanesulfonamide
CID 82842449
N-(4-chlorobutan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 83178902
N-(1-hydroxy-2-methylpropan-2-yl)-2-propan-2-yloxyethanesulfonamide
CID 79593875
1-hydroxybutan-2-ylsulfamic acid
CID 150046835
N-[(2S)-2-hydroxypropyl]-2-propan-2-yloxyethanesulfonamide
CID 83029580
2-(4-aminophenyl)sulfanyl-N-[(2S)-1-hydroxybutan-2-yl]ethanesulfonamide
CID 107213650

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide (CID 104981847) is N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide is CC[C@@H](CO)NS(=O)(=O)CCOC(C)C.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide?
The InChIKey is KEZBMLIVJUMEMH-VIFPVBQESA-N. The full InChI is InChI=1S/C9H21NO4S/c1-4-9(7-11)10-15(12,13)6-5-14-8(2)3/h8-11H,4-7H2,1-3H3/t9-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.10, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-propan-2-yloxyethanesulfonamide is sourced from PubChem (CID 104981847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).