propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate

C11H24N4O4S — CID 114461831

IUPACpropan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H24N4O4S/c1-10(2)19-11(16)14-20(17,18)13-4-3-7-15-8-5-12-6-9-15/h10,12-13H,3-9H2,1-2H3,(H,14,16)
InChIKeyRLXDMYYCIOHDED-UHFFFAOYSA-N
MW308.40 g/mol
LogP-0.75
Rot. Bonds7

About propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate

propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate (PubChem CID 114461831) has the molecular formula C11H24N4O4S and a molecular weight of 308.40 g/mol. Its IUPAC name is propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate.

Molecular Properties

Compound Namepropan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
PubChem CID114461831
Molecular FormulaC11H24N4O4S
Molecular Weight308.40 g/mol
Exact Mass308.15
IUPAC Namepropan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate
SMILESCC(C)OC(=O)NS(=O)(=O)NCCCN1CCNCC1
InChIInChI=1S/C11H24N4O4S/c1-10(2)19-11(16)14-20(17,18)13-4-3-7-15-8-5-12-6-9-15/h10,12-13H,3-9H2,1-2H3,(H,14,16)
InChIKeyRLXDMYYCIOHDED-UHFFFAOYSA-N
XLogP-0.75
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propan-2-yl N-(2-chlorosulfonylethylsulfamoyl)carbamate
CID 114467593
propan-2-yl N-[4-(4-aminobutyl)piperazin-1-yl]sulfonylcarbamate
CID 114461189
methyl 3-(3-piperazin-1-ylpropylsulfamoyl)propanoate
CID 61458394
propan-2-yl N-[(5-amino-5-hydroxyiminopentyl)sulfamoyl]carbamate
CID 104929393
ethyl 2-oxo-2-(3-piperazin-1-ylpropylamino)acetate
CID 61408291
2-ethyl-N-(3-piperazin-1-ylpropyl)butane-1-sulfonamide;dihydrochloride
CID 119994700
1-[3-[bis(3-methylbutyl)sulfamoylamino]propyl]piperazine;dihydrochloride
CID 119994783
propan-2-yl N-[2-(methylamino)propylsulfamoyl]carbamate
CID 103512534
methyl 3-[methyl(3-piperazin-1-ylpropylsulfamoyl)amino]propanoate;dihydrochloride
CID 119994388
2-ethyl-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119393199
tert-butyl N-(4-piperazin-1-ylbutyl)carbamate
CID 4134691
3-methyl-N-(3-piperazin-1-ylpropyl)-2-piperidin-1-ylbutanamide;dihydrochloride
CID 119392993

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate?
The IUPAC name of propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate (CID 114461831) is propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate.
What is the SMILES notation for propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate?
The canonical SMILES for propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate is CC(C)OC(=O)NS(=O)(=O)NCCCN1CCNCC1.
What is the InChIKey of propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate?
The InChIKey is RLXDMYYCIOHDED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O4S/c1-10(2)19-11(16)14-20(17,18)13-4-3-7-15-8-5-12-6-9-15/h10,12-13H,3-9H2,1-2H3,(H,14,16).
What are the key properties of propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate?
propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate has a molecular weight of 308.40 g/mol, XLogP of -0.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-(3-piperazin-1-ylpropylsulfamoyl)carbamate is sourced from PubChem (CID 114461831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).