[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid

C14H22N4O5S — CID 146223454

IUPAC[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid
SMILESCN1CCN(CCONS(=O)(=O)c2ccc(NC(=O)O)cc2)CC1
InChIInChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-23-16-24(21,22)13-4-2-12(3-5-13)15-14(19)20/h2-5,15-16H,6-11H2,1H3,(H,19,20)
InChIKeyOCKKIRBQKHMMBF-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.23
Rot. Bonds7

About [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid

[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid (PubChem CID 146223454) has the molecular formula C14H22N4O5S and a molecular weight of 358.42 g/mol. Its IUPAC name is [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid
PubChem CID146223454
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid
SMILESCN1CCN(CCONS(=O)(=O)c2ccc(NC(=O)O)cc2)CC1
InChIInChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-23-16-24(21,22)13-4-2-12(3-5-13)15-14(19)20/h2-5,15-16H,6-11H2,1H3,(H,19,20)
InChIKeyOCKKIRBQKHMMBF-UHFFFAOYSA-N
XLogP0.23
TPSA111.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate
CID 175125397
tert-butyl N-(4-chlorosulfonylphenyl)carbamate;tert-butyl N-[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamate;O-[2-(4-methylpiperazin-1-yl)ethyl]hydroxylamine
CID 160993006
4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
2-methyl-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 71993662
N-[4-(dimethylsulfamoyl)phenyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 1439115
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
N-(4-methylphenyl)-3-(4-methylpiperazin-1-yl)propanamide;dihydrochloride
CID 19661853
N-[4-(2-methylpropoxysulfamoyl)phenyl]acetamide
CID 82716009
3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
(2R)-2-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]propanamide
CID 119903586

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid?
The IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid (CID 146223454) is [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid?
The canonical SMILES for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid is CN1CCN(CCONS(=O)(=O)c2ccc(NC(=O)O)cc2)CC1.
What is the InChIKey of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid?
The InChIKey is OCKKIRBQKHMMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-23-16-24(21,22)13-4-2-12(3-5-13)15-14(19)20/h2-5,15-16H,6-11H2,1H3,(H,19,20).
What are the key properties of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid?
[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid has a molecular weight of 358.42 g/mol, XLogP of 0.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl]carbamic acid is sourced from PubChem (CID 146223454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).