3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide

C8H20N2O4S — CID 23568037

IUPAC3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(CCO)CCO
InChIInChI=1S/C8H20N2O4S/c1-9-15(13,14)8-2-3-10(4-6-11)5-7-12/h9,11-12H,2-8H2,1H3
InChIKeyFDJPHUVGUOXPAG-UHFFFAOYSA-N
MW240.32 g/mol
LogP-1.79
Rot. Bonds9

About 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide

3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide (PubChem CID 23568037) has the molecular formula C8H20N2O4S and a molecular weight of 240.32 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
PubChem CID23568037
Molecular FormulaC8H20N2O4S
Molecular Weight240.32 g/mol
Exact Mass240.11
IUPAC Name3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
SMILESCNS(=O)(=O)CCCN(CCO)CCO
InChIInChI=1S/C8H20N2O4S/c1-9-15(13,14)8-2-3-10(4-6-11)5-7-12/h9,11-12H,2-8H2,1H3
InChIKeyFDJPHUVGUOXPAG-UHFFFAOYSA-N
XLogP-1.79
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 5-1.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-hydroxyethyl(3-methylsulfonylpropyl)amino]ethanol
CID 63196306
3-[cyclopropyl(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide
CID 111113309
2-[butyl(2-hydroxyethyl)amino]ethanol;methanesulfonic acid
CID 131862284
bis(2-[butyl(2-hydroxyethyl)amino]ethanol);sulfuric acid
CID 173031476
4-[bis(2-hydroxyethyl)amino]butane-1-sulfonic acid
CID 22348636
2-[bis(2-hydroxyethyl)amino]-N-methylsulfonylethanesulfonamide
CID 59594112
3-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylpropane-1-sulfonamide
CID 111336402
2-[bis[3-[bis(2-hydroxyethyl)amino]propyl]amino]ethanol
CID 167139785
N-methylbutane-1-sulfonamide;hydrochloride
CID 141278218
6-[bis(2-hydroxyethyl)amino]hexan-2-one
CID 62050853
2-[butyl(2-tert-butylsulfonylethyl)amino]ethanol
CID 103710302
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide (CID 23568037) is 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide is CNS(=O)(=O)CCCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
The InChIKey is FDJPHUVGUOXPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S/c1-9-15(13,14)8-2-3-10(4-6-11)5-7-12/h9,11-12H,2-8H2,1H3.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide?
3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide has a molecular weight of 240.32 g/mol, XLogP of -1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]-N-methylpropane-1-sulfonamide is sourced from PubChem (CID 23568037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).