N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide

C9H20N2O4S — CID 115754877

IUPACN-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O4S/c1-8(7-12)9(2)10-16(13,14)11-3-5-15-6-4-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQUUQIJBONCCJIU-UHFFFAOYSA-N
MW252.34 g/mol
LogP-0.83
Rot. Bonds5

About N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide

N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide (PubChem CID 115754877) has the molecular formula C9H20N2O4S and a molecular weight of 252.34 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
PubChem CID115754877
Molecular FormulaC9H20N2O4S
Molecular Weight252.34 g/mol
Exact Mass252.11
IUPAC NameN-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide
SMILESCC(CO)C(C)NS(=O)(=O)N1CCOCC1
InChIInChI=1S/C9H20N2O4S/c1-8(7-12)9(2)10-16(13,14)11-3-5-15-6-4-11/h8-10,12H,3-7H2,1-2H3
InChIKeyQUUQIJBONCCJIU-UHFFFAOYSA-N
XLogP-0.83
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-butan-2-yl]morpholine-4-sulfonamide
CID 95135939
(2S)-2-(morpholin-4-ylsulfonylamino)propanoic acid
CID 10354183
N-(1-chloro-3-methylbutan-2-yl)morpholine-4-sulfonamide
CID 79267830
(2S)-3-methyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 10445626
N-(1-cyanoethyl)morpholine-4-sulfonamide
CID 61123447
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-carboxamide
CID 111444624
N-(1-chlorobutan-2-yl)morpholine-4-sulfonamide
CID 65033713
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]morpholine-4-sulfonamide
CID 102675573
N-(2-hydroxyethyl)-N-propan-2-ylmorpholine-4-sulfonamide
CID 43574633
2-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 113484800
N-bromomorpholine-4-sulfonamide
CID 117126249
(2S)-4-methylsulfanyl-2-(morpholin-4-ylsulfonylamino)butanoic acid
CID 28783970

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The IUPAC name of N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide (CID 115754877) is N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The canonical SMILES for N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide is CC(CO)C(C)NS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide?
The InChIKey is QUUQIJBONCCJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O4S/c1-8(7-12)9(2)10-16(13,14)11-3-5-15-6-4-11/h8-10,12H,3-7H2,1-2H3.
What are the key properties of N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide?
N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide has a molecular weight of 252.34 g/mol, XLogP of -0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylbutan-2-yl)morpholine-4-sulfonamide is sourced from PubChem (CID 115754877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).