ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate

C12H25N3O4S — CID 114465230

IUPACethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C12H25N3O4S/c1-2-19-12(16)15-20(17,18)14-10-9-13-11-7-5-3-4-6-8-11/h11,13-14H,2-10H2,1H3,(H,15,16)
InChIKeyPOLVWWNEYLBGGA-UHFFFAOYSA-N
MW307.42 g/mol
LogP0.88
Rot. Bonds7

About ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate

ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate (PubChem CID 114465230) has the molecular formula C12H25N3O4S and a molecular weight of 307.42 g/mol. Its IUPAC name is ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
PubChem CID114465230
Molecular FormulaC12H25N3O4S
Molecular Weight307.42 g/mol
Exact Mass307.16
IUPAC Nameethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate
SMILESCCOC(=O)NS(=O)(=O)NCCNC1CCCCCC1
InChIInChI=1S/C12H25N3O4S/c1-2-19-12(16)15-20(17,18)14-10-9-13-11-7-5-3-4-6-8-11/h11,13-14H,2-10H2,1H3,(H,15,16)
InChIKeyPOLVWWNEYLBGGA-UHFFFAOYSA-N
XLogP0.88
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]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

ethyl N-[2-(cyclopropylamino)ethylsulfamoyl]carbamate
CID 114464719
ethyl N-(propylsulfamoyl)carbamate
CID 114463072
ethyl N-(2-chloroethylsulfamoyl)carbamate
CID 114464062
ethyl N-[[2-(bromomethyl)cyclohexyl]methylsulfamoyl]carbamate
CID 114466708
ethyl 3-(cyclododecylamino)propanoate
CID 63476894
ethyl N-(5-chloropentylsulfamoyl)carbamate
CID 107322727
ethyl N-(2-piperidin-3-ylethylsulfamoyl)carbamate
CID 114463242
ethyl N-[[2-(bromomethyl)cyclopentyl]methylsulfamoyl]carbamate
CID 114466703
ethyl N-(6-bromohexylsulfamoyl)carbamate
CID 107848893
ethyl N-(3-aminopentylsulfamoyl)carbamate
CID 114467103
ethyl N-(piperidin-3-ylmethylsulfamoyl)carbamate
CID 114463214
methyl N-[2-(cycloheptylamino)ethyl]carbamate
CID 115306508

Frequently Asked Questions

What is the IUPAC name of ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate?
The IUPAC name of ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate (CID 114465230) is ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate.
What is the SMILES notation for ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate?
The canonical SMILES for ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate is CCOC(=O)NS(=O)(=O)NCCNC1CCCCCC1.
What is the InChIKey of ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate?
The InChIKey is POLVWWNEYLBGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O4S/c1-2-19-12(16)15-20(17,18)14-10-9-13-11-7-5-3-4-6-8-11/h11,13-14H,2-10H2,1H3,(H,15,16).
What are the key properties of ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate?
ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate has a molecular weight of 307.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2-(cycloheptylamino)ethylsulfamoyl]carbamate is sourced from PubChem (CID 114465230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).