N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide

C8H19NO5S2 — CID 58704014

IUPACN-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(CO)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-8(7-10)6-9-16(13,14)5-3-4-15(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyAGOIODNBQCOVTK-UHFFFAOYSA-N
MW273.38 g/mol
LogP-1.03
Rot. Bonds8

About N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide

N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 58704014) has the molecular formula C8H19NO5S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID58704014
Molecular FormulaC8H19NO5S2
Molecular Weight273.38 g/mol
Exact Mass273.07
IUPAC NameN-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCC(CO)CNS(=O)(=O)CCCS(C)(=O)=O
InChIInChI=1S/C8H19NO5S2/c1-8(7-10)6-9-16(13,14)5-3-4-15(2,11)12/h8-10H,3-7H2,1-2H3
InChIKeyAGOIODNBQCOVTK-UHFFFAOYSA-N
XLogP-1.03
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,3-dihydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769755
N-(1-hydroxypropan-2-yl)-3-methylsulfonylpropane-1-sulfonamide
CID 20769760
N-(3-methoxypropyl)-4-methylsulfonylbutane-2-sulfonamide
CID 58592013
N-(1-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide
CID 59288280
N-(3-hydroxypropyl)-3-methylbutane-1-sulfonamide
CID 63855877
3-(2-Aminoethylsulfonyl)-2-methylpropan-1-ol
CID 91387885
3-Aminopropane-1-sulfonic acid;4-methylsulfanylbutan-1-ol
CID 143275229
Lithium 1-hydroxy-3-(3-methylsulfonylpropylsulfonylamino)propane-1-sulfonate
CID 154595212
lithium;N-(1-hydroxypropyl)-3-methylsulfonylpropane-1-sulfonamide;3-methylsulfonylpropane-1-sulfonate;propane
CID 158292139
1-(2-Aminoethylsulfonyl)-2-methylpropan-1-ol;hydrochloride
CID 159068672
Methane;2-(propylsulfamoylamino)ethanol;2-propylsulfonylethanol
CID 160230471
N-(2,3-dihydroxypropyl)-4-methylsulfonylbutane-2-sulfonamide
CID 164784893

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide (CID 58704014) is N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide is CC(CO)CNS(=O)(=O)CCCS(C)(=O)=O.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is AGOIODNBQCOVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO5S2/c1-8(7-10)6-9-16(13,14)5-3-4-15(2,11)12/h8-10H,3-7H2,1-2H3.
What are the key properties of N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide?
N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 273.38 g/mol, XLogP of -1.03, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 58704014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).