tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine

C11H26N4O4S — CID 158977664

IUPACtert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine
SMILESCC(C)(C)OC=O.NS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C6H16N4O2S.C5H10O2/c7-13(11,12)9-3-6-10-4-1-8-2-5-10;1-5(2,3)7-4-6/h8-9H,1-6H2,(H2,7,11,12);4H,1-3H3
InChIKeyJOPDSQNJSPSGLC-UHFFFAOYSA-N
MW310.42 g/mol
LogP-1.36
Rot. Bonds5

About tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine

tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine (PubChem CID 158977664) has the molecular formula C11H26N4O4S and a molecular weight of 310.42 g/mol. Its IUPAC name is tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine.

Molecular Properties

Compound Nametert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine
PubChem CID158977664
Molecular FormulaC11H26N4O4S
Molecular Weight310.42 g/mol
Exact Mass310.17
IUPAC Nametert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine
SMILESCC(C)(C)OC=O.NS(=O)(=O)NCCN1CCNCC1
InChIInChI=1S/C6H16N4O2S.C5H10O2/c7-13(11,12)9-3-6-10-4-1-8-2-5-10;1-5(2,3)7-4-6/h8-9H,1-6H2,(H2,7,11,12);4H,1-3H3
InChIKeyJOPDSQNJSPSGLC-UHFFFAOYSA-N
XLogP-1.36
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine 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

tert-butyl formate;methyl 1-(2-piperazin-1-ylethyl)piperidine-4-carboxylate;piperazine
CID 175303699
tert-butyl formate;2-piperazin-1-ylethyl 4-methylbenzenesulfonate
CID 157272887
tert-butyl formate;piperazine
CID 159581918
tert-butyl formate;1-[4-(piperazin-1-ylmethyl)phenyl]ethanamine
CID 174941750
N-(2-piperazin-1-ylethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 119966447
1-[2-[[cyclopropylmethyl(methyl)sulfamoyl]amino]ethyl]piperazine
CID 119966185
2-methyl-N-(2-piperazin-1-ylethyl)propan-2-amine
CID 23592356
2-piperazin-1-ylethanesulfonamide
CID 54595802
1-[2-[bis(2-methoxyethyl)sulfamoylamino]ethyl]piperazine
CID 119966689
N-(2-piperazin-1-ylethyl)butane-1-sulfonamide;dihydrochloride
CID 119966256
1-phenyl-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 43599791
tert-butyl formate;carbamic acid;piperazine
CID 174978332

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine?
The IUPAC name of tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine (CID 158977664) is tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine.
What is the SMILES notation for tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine?
The canonical SMILES for tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine is CC(C)(C)OC=O.NS(=O)(=O)NCCN1CCNCC1.
What is the InChIKey of tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine?
The InChIKey is JOPDSQNJSPSGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N4O2S.C5H10O2/c7-13(11,12)9-3-6-10-4-1-8-2-5-10;1-5(2,3)7-4-6/h8-9H,1-6H2,(H2,7,11,12);4H,1-3H3.
What are the key properties of tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine?
tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine has a molecular weight of 310.42 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;1-[2-(sulfamoylamino)ethyl]piperazine is sourced from PubChem (CID 158977664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).