1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide

C15H26N2O3S — CID 79472119

IUPAC1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C15H26N2O3S/c1-4-12(3)9-16(5-2)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyYHKLBUYFRPZEQI-UHFFFAOYSA-N
MW314.45 g/mol
LogP2.37
Rot. Bonds8

About 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide

1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide (PubChem CID 79472119) has the molecular formula C15H26N2O3S and a molecular weight of 314.45 g/mol. Its IUPAC name is 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
PubChem CID79472119
Molecular FormulaC15H26N2O3S
Molecular Weight314.45 g/mol
Exact Mass314.17
IUPAC Name1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide
SMILESCCC(C)CN(CC)S(=O)(=O)c1cc(CO)n(C2CC2)c1
InChIInChI=1S/C15H26N2O3S/c1-4-12(3)9-16(5-2)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,4-7,9,11H2,1-3H3
InChIKeyYHKLBUYFRPZEQI-UHFFFAOYSA-N
XLogP2.37
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide (CID 79472119) is 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide is CCC(C)CN(CC)S(=O)(=O)c1cc(CO)n(C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide?
The InChIKey is YHKLBUYFRPZEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S/c1-4-12(3)9-16(5-2)21(19,20)15-8-14(11-18)17(10-15)13-6-7-13/h8,10,12-13,18H,4-7,9,11H2,1-3H3.
What are the key properties of 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide?
1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide has a molecular weight of 314.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-ethyl-5-(hydroxymethyl)-N-(2-methylbutyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 79472119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).