N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide

C14H24N2O2S — CID 110415986

IUPACN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C14H24N2O2S/c1-4-9-19(17,18)15-8-7-13-10-11(2)16(12(13)3)14-5-6-14/h10,14-15H,4-9H2,1-3H3
InChIKeyLCZJDTCPMBHPHU-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide

N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide (PubChem CID 110415986) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
PubChem CID110415986
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC NameN-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCCc1cc(C)n(C2CC2)c1C
InChIInChI=1S/C14H24N2O2S/c1-4-9-19(17,18)15-8-7-13-10-11(2)16(12(13)3)14-5-6-14/h10,14-15H,4-9H2,1-3H3
InChIKeyLCZJDTCPMBHPHU-UHFFFAOYSA-N
XLogP2.31
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide?
The IUPAC name of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide (CID 110415986) is N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide.
What is the SMILES notation for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide?
The canonical SMILES for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide is CCCS(=O)(=O)NCCc1cc(C)n(C2CC2)c1C.
What is the InChIKey of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide?
The InChIKey is LCZJDTCPMBHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-4-9-19(17,18)15-8-7-13-10-11(2)16(12(13)3)14-5-6-14/h10,14-15H,4-9H2,1-3H3.
What are the key properties of N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide?
N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide has a molecular weight of 284.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)ethyl]propane-1-sulfonamide is sourced from PubChem (CID 110415986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).