N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide

C8H19NO6S2 — CID 59747346

IUPACN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H19NO6S2/c1-16(12,13)7-2-8-17(14,15)9(3-5-10)4-6-11/h10-11H,2-8H2,1H3
InChIKeyDYXUCYFTLKBPGU-UHFFFAOYSA-N
MW289.38 g/mol
LogP-1.96
Rot. Bonds9

About N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide

N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide (PubChem CID 59747346) has the molecular formula C8H19NO6S2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
PubChem CID59747346
Molecular FormulaC8H19NO6S2
Molecular Weight289.38 g/mol
Exact Mass289.07
IUPAC NameN,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide
SMILESCS(=O)(=O)CCCS(=O)(=O)N(CCO)CCO
InChIInChI=1S/C8H19NO6S2/c1-16(12,13)7-2-8-17(14,15)9(3-5-10)4-6-11/h10-11H,2-8H2,1H3
InChIKeyDYXUCYFTLKBPGU-UHFFFAOYSA-N
XLogP-1.96
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N,N-bis(2-hydroxyethyl)-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

2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
2-chloro-N,N-bis(2-hydroxyethyl)ethanesulfonamide
CID 107651201
4,4,4-trifluoro-N-(2-hydroxyethyl)-N-propylbutane-1-sulfonamide
CID 83058644
N-(2-hydroxyethyl)-1-methylsulfonyl-N-propylmethanesulfonamide
CID 82842151
methyl 4-[hexyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 61460350
methyl 3-[butyl(2-hydroxyethyl)sulfamoyl]propanoate
CID 54951714
3-hydroxy-N,N-bis(3-methylbutyl)propane-1-sulfonamide
CID 107871668
N,N-dioctyldodecane-1-sulfonamide
CID 15510197
N-butyl-N-(2-hydroxyethyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54972654
methyl 4-[2,2-difluoroethyl(2-hydroxyethyl)sulfamoyl]butanoate
CID 107478984
N,N-bis(3-hydroxypropyl)methanesulfonamide
CID 20746482
2-[cyclohexyl(3-methylsulfonylpropyl)amino]ethanol
CID 55163330

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide (CID 59747346) is N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide is CS(=O)(=O)CCCS(=O)(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide?
The InChIKey is DYXUCYFTLKBPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO6S2/c1-16(12,13)7-2-8-17(14,15)9(3-5-10)4-6-11/h10-11H,2-8H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide?
N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide has a molecular weight of 289.38 g/mol, XLogP of -1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-3-methylsulfonylpropane-1-sulfonamide is sourced from PubChem (CID 59747346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).