2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline

C16H26N4O3S — CID 3778066

IUPAC2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2N)CC1
InChIInChI=1S/C16H26N4O3S/c1-2-18-5-7-19(8-6-18)16-4-3-14(13-15(16)17)24(21,22)20-9-11-23-12-10-20/h3-4,13H,2,5-12,17H2,1H3
InChIKeyKXPRSJOCTXPIPD-UHFFFAOYSA-N
MW354.48 g/mol
LogP0.43
Rot. Bonds4

About 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline

2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline (PubChem CID 3778066) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline
PubChem CID3778066
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline
SMILESCCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2N)CC1
InChIInChI=1S/C16H26N4O3S/c1-2-18-5-7-19(8-6-18)16-4-3-14(13-15(16)17)24(21,22)20-9-11-23-12-10-20/h3-4,13H,2,5-12,17H2,1H3
InChIKeyKXPRSJOCTXPIPD-UHFFFAOYSA-N
XLogP0.43
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline (CID 3778066) is 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline is CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2N)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline?
The InChIKey is KXPRSJOCTXPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-2-18-5-7-19(8-6-18)16-4-3-14(13-15(16)17)24(21,22)20-9-11-23-12-10-20/h3-4,13H,2,5-12,17H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline?
2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline has a molecular weight of 354.48 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-5-morpholin-4-ylsulfonylaniline is sourced from PubChem (CID 3778066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).