N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide

C10H18N2O3S — CID 43574724

IUPACN-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H18N2O3S/c1-9(2)12(6-7-13)16(14,15)10-4-5-11(3)8-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyCMJYFGKJCWBIJP-UHFFFAOYSA-N
MW246.33 g/mol
LogP0.42
Rot. Bonds5

About N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide

N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide (PubChem CID 43574724) has the molecular formula C10H18N2O3S and a molecular weight of 246.33 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
PubChem CID43574724
Molecular FormulaC10H18N2O3S
Molecular Weight246.33 g/mol
Exact Mass246.10
IUPAC NameN-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide
SMILESCC(C)N(CCO)S(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C10H18N2O3S/c1-9(2)12(6-7-13)16(14,15)10-4-5-11(3)8-10/h4-5,8-9,13H,6-7H2,1-3H3
InChIKeyCMJYFGKJCWBIJP-UHFFFAOYSA-N
XLogP0.42
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 3702166
4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 43644688
3-fluoro-N-(2-hydroxyethyl)-4-methoxy-N-propan-2-ylbenzenesulfonamide
CID 43574658
2-amino-N-(2-hydroxyethyl)-N-propan-2-ylpyrimidine-5-sulfonamide
CID 62153161
3-amino-4-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzenesulfonamide
CID 43577710
1-methyl-3-propan-2-ylsulfonylpyrrole
CID 130377708
N-(2-hydroxyethyl)-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 43574607
4-[methyl-(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 43294368
5-[2-hydroxyethyl(propan-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 43578680
ethyl 4-[2-hydroxyethyl(propan-2-yl)sulfamoyl]benzoate
CID 43574674
3-tert-butyl-N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrazole-4-sulfonamide
CID 42283498
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
CID 65033956

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide (CID 43574724) is N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide is CC(C)N(CCO)S(=O)(=O)c1ccn(C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide?
The InChIKey is CMJYFGKJCWBIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3S/c1-9(2)12(6-7-13)16(14,15)10-4-5-11(3)8-10/h4-5,8-9,13H,6-7H2,1-3H3.
What are the key properties of N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide?
N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide has a molecular weight of 246.33 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-N-propan-2-ylpyrrole-3-sulfonamide is sourced from PubChem (CID 43574724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).