N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide

C10H18N2O2S — CID 110716313

IUPACN-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1cccc1
InChIInChI=1S/C10H18N2O2S/c1-2-3-10-15(13,14)11-6-9-12-7-4-5-8-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyXFCXTKKAGHBIBK-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.21
Rot. Bonds7

About N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide

N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide (PubChem CID 110716313) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
PubChem CID110716313
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC NameN-(2-pyrrol-1-ylethyl)butane-1-sulfonamide
SMILESCCCCS(=O)(=O)NCCn1cccc1
InChIInChI=1S/C10H18N2O2S/c1-2-3-10-15(13,14)11-6-9-12-7-4-5-8-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3
InChIKeyXFCXTKKAGHBIBK-UHFFFAOYSA-N
XLogP1.21
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide?
The IUPAC name of N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide (CID 110716313) is N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide.
What is the SMILES notation for N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide?
The canonical SMILES for N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide is CCCCS(=O)(=O)NCCn1cccc1.
What is the InChIKey of N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide?
The InChIKey is XFCXTKKAGHBIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-2-3-10-15(13,14)11-6-9-12-7-4-5-8-12/h4-5,7-8,11H,2-3,6,9-10H2,1H3.
What are the key properties of N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide?
N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide has a molecular weight of 230.33 g/mol, XLogP of 1.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrol-1-ylethyl)butane-1-sulfonamide is sourced from PubChem (CID 110716313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).