N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide

C11H25NO4S — CID 103861215

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-11(2,3)6-8-17(14,15)12-10(5-7-13)9-16-4/h10,12-13H,5-9H2,1-4H3
InChIKeyDSUWXYDCVWJEPZ-UHFFFAOYSA-N
MW267.39 g/mol
LogP0.74
Rot. Bonds8

About N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide (PubChem CID 103861215) has the molecular formula C11H25NO4S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
PubChem CID103861215
Molecular FormulaC11H25NO4S
Molecular Weight267.39 g/mol
Exact Mass267.15
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)CCC(C)(C)C
InChIInChI=1S/C11H25NO4S/c1-11(2,3)6-8-17(14,15)12-10(5-7-13)9-16-4/h10,12-13H,5-9H2,1-4H3
InChIKeyDSUWXYDCVWJEPZ-UHFFFAOYSA-N
XLogP0.74
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
CID 106156919
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
2-(3,3-dimethylbutylsulfonylamino)-5-methoxypentanoic acid
CID 104936567
N-(1-methoxypentan-2-yl)ethanesulfonamide
CID 64585946
5-tert-butyl-N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]-2-methylbenzenesulfonamide
CID 97071037
N-(4-hydroxy-1-methoxybutan-2-yl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 113346258
3-[(4-hydroxy-1-methoxybutan-2-yl)sulfamoyl]-4-methylbenzoic acid
CID 106155850
N-(4-hydroxybutan-2-yl)-2-methoxyethanesulfonamide
CID 78998841
tert-butyl N-[(2S)-4-hydroxy-1-methoxybutan-2-yl]carbamate
CID 53259998
3-[(4-hydroxy-1-methoxybutan-2-yl)amino]-2,2-dimethylpropanoic acid
CID 106159803

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide (CID 103861215) is N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide is COCC(CCO)NS(=O)(=O)CCC(C)(C)C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
The InChIKey is DSUWXYDCVWJEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO4S/c1-11(2,3)6-8-17(14,15)12-10(5-7-13)9-16-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide has a molecular weight of 267.39 g/mol, XLogP of 0.74, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide is sourced from PubChem (CID 103861215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).