2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline

C17H28N4O3S — CID 58962640

IUPAC2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
SMILESCc1cc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)ccc1N
InChIInChI=1S/C17H28N4O3S/c1-15-14-16(2-3-17(15)18)25(22,23)21-8-6-19(7-9-21)4-5-20-10-12-24-13-11-20/h2-3,14H,4-13,18H2,1H3
InChIKeyVJDNPBUCSDEEKM-UHFFFAOYSA-N
MW368.50 g/mol
LogP0.22
Rot. Bonds5

About 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline

2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline (PubChem CID 58962640) has the molecular formula C17H28N4O3S and a molecular weight of 368.50 g/mol. Its IUPAC name is 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline.

Molecular Properties

Compound Name2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
PubChem CID58962640
Molecular FormulaC17H28N4O3S
Molecular Weight368.50 g/mol
Exact Mass368.19
IUPAC Name2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline
SMILESCc1cc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)ccc1N
InChIInChI=1S/C17H28N4O3S/c1-15-14-16(2-3-17(15)18)25(22,23)21-8-6-19(7-9-21)4-5-20-10-12-24-13-11-20/h2-3,14H,4-13,18H2,1H3
InChIKeyVJDNPBUCSDEEKM-UHFFFAOYSA-N
XLogP0.22
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[4-(1,3-benzodioxol-5-ylsulfonyl)piperazin-1-yl]ethyl]morpholine
CID 113073744
2-bromo-4-morpholin-4-ylsulfonylaniline
CID 54850283
2-bromo-5-morpholin-4-ylsulfonylaniline
CID 115328547
4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylbenzonitrile
CID 3712210
[4-(4-amino-3-methylphenyl)sulfonylmorpholin-2-yl]methanol
CID 81205844
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-[4-(3-amino-4-ethylphenyl)sulfonylpiperazin-1-yl]ethanol
CID 43501281
2-chloro-4-(2-morpholin-4-ylethylsulfonyl)aniline
CID 81202042
1-(4-chloro-3-methylphenyl)sulfonyl-4-(3-methylbutyl)piperazine
CID 113075058
2-methyl-4-morpholin-4-ylsulfonylbenzenecarbothioamide
CID 106919912
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-methyl-4-(2-morpholin-4-ylethylsulfanyl)aniline
CID 79148751

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline?
The IUPAC name of 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline (CID 58962640) is 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline.
What is the SMILES notation for 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline?
The canonical SMILES for 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline is Cc1cc(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)ccc1N.
What is the InChIKey of 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline?
The InChIKey is VJDNPBUCSDEEKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3S/c1-15-14-16(2-3-17(15)18)25(22,23)21-8-6-19(7-9-21)4-5-20-10-12-24-13-11-20/h2-3,14H,4-13,18H2,1H3.
What are the key properties of 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline?
2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline has a molecular weight of 368.50 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]sulfonylaniline is sourced from PubChem (CID 58962640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).