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

C14H22N4O5S — CID 175125397

IUPAC[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate
SMILESCN1CCN(CCONS(=O)(=O)c2ccc(OC(N)=O)cc2)CC1
InChIInChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-22-16-24(20,21)13-4-2-12(3-5-13)23-14(15)19/h2-5,16H,6-11H2,1H3,(H2,15,19)
InChIKeyXTQBXOUMUSFSBG-UHFFFAOYSA-N
MW358.42 g/mol
LogP-0.40
Rot. Bonds7

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

[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate (PubChem CID 175125397) 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] carbamate.

Molecular Properties

Compound Name[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate
PubChem CID175125397
Molecular FormulaC14H22N4O5S
Molecular Weight358.42 g/mol
Exact Mass358.13
IUPAC Name[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate
SMILESCN1CCN(CCONS(=O)(=O)c2ccc(OC(N)=O)cc2)CC1
InChIInChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-22-16-24(20,21)13-4-2-12(3-5-13)23-14(15)19/h2-5,16H,6-11H2,1H3,(H2,15,19)
InChIKeyXTQBXOUMUSFSBG-UHFFFAOYSA-N
XLogP-0.40
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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]carbamic acid
CID 146223454
4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
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
3,4-dimethoxy-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643116
2-[(4-methoxyphenyl)sulfonylamino]oxyacetamide
CID 112673531
4-amino-N-[2-(4-methylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 60924583
2-[(4-ethoxyphenyl)sulfonylamino]oxyacetamide
CID 112673488
N-(2-piperidin-1-ylethoxy)-1,3-benzodioxole-5-sulfonamide
CID 110642960
[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl] carbamate
CID 174951749
5-ethyl-N-(2-pyrrolidin-1-ylethoxy)thiophene-2-sulfonamide
CID 110643124
4-(2-methoxyethylsulfamoyl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzamide
CID 55656660
N-(3-methoxypropyl)-4-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109059876

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate?
The IUPAC name of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate (CID 175125397) is [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate.
What is the SMILES notation for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate?
The canonical SMILES for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate is CN1CCN(CCONS(=O)(=O)c2ccc(OC(N)=O)cc2)CC1.
What is the InChIKey of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate?
The InChIKey is XTQBXOUMUSFSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O5S/c1-17-6-8-18(9-7-17)10-11-22-16-24(20,21)13-4-2-12(3-5-13)23-14(15)19/h2-5,16H,6-11H2,1H3,(H2,15,19).
What are the key properties of [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate?
[4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate has a molecular weight of 358.42 g/mol, XLogP of -0.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methylpiperazin-1-yl)ethoxysulfamoyl]phenyl] carbamate is sourced from PubChem (CID 175125397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).