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

C9H16N2O3S — CID 65033956

IUPACN-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-8(7-12)5-10-15(13,14)9-3-4-11(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3
InChIKeyHGLUJRSMNSBCJC-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.07
Rot. Bonds5

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

N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide (PubChem CID 65033956) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
PubChem CID65033956
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC NameN-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide
SMILESCC(CO)CNS(=O)(=O)c1ccn(C)c1
InChIInChI=1S/C9H16N2O3S/c1-8(7-12)5-10-15(13,14)9-3-4-11(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3
InChIKeyHGLUJRSMNSBCJC-UHFFFAOYSA-N
XLogP-0.07
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[(1-methylpyrrol-3-yl)sulfonylamino]propanoic acid
CID 62675008
4-amino-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65036872
N-(3-hydroxy-2-methylpropyl)-4-methoxy-3-methylbenzenesulfonamide
CID 65034163
N-(3-hydroxy-2-methylpropyl)-4-(2-methylpropyl)benzenesulfonamide
CID 65033964
2-hydroxy-4-[(1-methylpyrrol-3-yl)sulfonylamino]butanoic acid
CID 107835273
N-(2-hydroxy-1-phenylethyl)-1-methylpyrrole-3-sulfonamide
CID 63182937
3-[(3-hydroxy-2-methylpropyl)sulfamoyl]benzoic acid
CID 65034105
N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-3-sulfonamide
CID 43501788
6-amino-N-(3-hydroxy-2-methylpropyl)pyridine-3-sulfonamide
CID 65036692
1-methylpyrrole-3-sulfonohydrazide
CID 82280503
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034551
4-chloro-N-(3-hydroxy-2-methylpropyl)-3-nitrobenzenesulfonamide
CID 65034448

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The IUPAC name of N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide (CID 65033956) is N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide.
What is the SMILES notation for N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The canonical SMILES for N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide is CC(CO)CNS(=O)(=O)c1ccn(C)c1.
What is the InChIKey of N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
The InChIKey is HGLUJRSMNSBCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-8(7-12)5-10-15(13,14)9-3-4-11(2)6-9/h3-4,6,8,10,12H,5,7H2,1-2H3.
What are the key properties of N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide?
N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide has a molecular weight of 232.30 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylpropyl)-1-methylpyrrole-3-sulfonamide is sourced from PubChem (CID 65033956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).