N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide

C9H21NO4S — CID 106156919

IUPACN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO4S/c1-9(2,3)15(12,13)10-8(5-6-11)7-14-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDHGAJJHMDCVPRM-UHFFFAOYSA-N
MW239.34 g/mol
LogP0.10
Rot. Bonds6

About N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide

N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide (PubChem CID 106156919) has the molecular formula C9H21NO4S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
PubChem CID106156919
Molecular FormulaC9H21NO4S
Molecular Weight239.34 g/mol
Exact Mass239.12
IUPAC NameN-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide
SMILESCOCC(CCO)NS(=O)(=O)C(C)(C)C
InChIInChI=1S/C9H21NO4S/c1-9(2,3)15(12,13)10-8(5-6-11)7-14-4/h8,10-11H,5-7H2,1-4H3
InChIKeyDHGAJJHMDCVPRM-UHFFFAOYSA-N
XLogP0.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(4-hydroxy-1-methoxybutan-2-yl)-3,3-dimethylbutane-1-sulfonamide
CID 103861215
N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 103887492
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
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
2-(2-aminophenoxy)-N-(4-hydroxy-1-methoxybutan-2-yl)ethanesulfonamide
CID 106152843
2-fluoro-N-(4-hydroxy-1-methoxybutan-2-yl)-5-nitrobenzenesulfonamide
CID 106156998
3-(4-ethylsulfonylanilino)-4-methoxybutan-1-ol
CID 106157556
2-amino-4-chloro-N-(4-hydroxy-1-methoxybutan-2-yl)benzenesulfonamide
CID 106152688
2-(tert-butylamino)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103850862

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide?
The IUPAC name of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide (CID 106156919) is N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide is COCC(CCO)NS(=O)(=O)C(C)(C)C.
What is the InChIKey of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide?
The InChIKey is DHGAJJHMDCVPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO4S/c1-9(2,3)15(12,13)10-8(5-6-11)7-14-4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide?
N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylpropane-2-sulfonamide has a molecular weight of 239.34 g/mol, XLogP of 0.10, 6 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)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 106156919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).