N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

C9H16N2O3S — CID 43501788

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(C)(C)CO)c1
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-12)10-15(13,14)8-4-5-11(3)6-8/h4-6,10,12H,7H2,1-3H3
InChIKeyRMNZBZJNJURCMR-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.07
Rot. Bonds4

About N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide

N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (PubChem CID 43501788) has the molecular formula C9H16N2O3S and a molecular weight of 232.31 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
PubChem CID43501788
Molecular FormulaC9H16N2O3S
Molecular Weight232.31 g/mol
Exact Mass232.09
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NC(C)(C)CO)c1
InChIInChI=1S/C9H16N2O3S/c1-9(2,7-12)10-15(13,14)8-4-5-11(3)6-8/h4-6,10,12H,7H2,1-3H3
InChIKeyRMNZBZJNJURCMR-UHFFFAOYSA-N
XLogP0.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide (CID 43501788) is N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NC(C)(C)CO)c1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is RMNZBZJNJURCMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-9(2,7-12)10-15(13,14)8-4-5-11(3)6-8/h4-6,10,12H,7H2,1-3H3.
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide?
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 232.31 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 43501788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).