N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine

C11H23ClN2O2S — CID 55187453

IUPACN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-3-13(4-2)17(15,16)14(10-9-12)11-7-5-6-8-11/h11H,3-10H2,1-2H3
InChIKeySZYHCYIUGKNPKF-UHFFFAOYSA-N
MW282.84 g/mol
LogP2.06
Rot. Bonds7

About N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine

N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine (PubChem CID 55187453) has the molecular formula C11H23ClN2O2S and a molecular weight of 282.84 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine
PubChem CID55187453
Molecular FormulaC11H23ClN2O2S
Molecular Weight282.84 g/mol
Exact Mass282.12
IUPAC NameN-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine
SMILESCCN(CC)S(=O)(=O)N(CCCl)C1CCCC1
InChIInChI=1S/C11H23ClN2O2S/c1-3-13(4-2)17(15,16)14(10-9-12)11-7-5-6-8-11/h11H,3-10H2,1-2H3
InChIKeySZYHCYIUGKNPKF-UHFFFAOYSA-N
XLogP2.06
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.84
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine?
The IUPAC name of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine (CID 55187453) is N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine?
The canonical SMILES for N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine is CCN(CC)S(=O)(=O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine?
The InChIKey is SZYHCYIUGKNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClN2O2S/c1-3-13(4-2)17(15,16)14(10-9-12)11-7-5-6-8-11/h11H,3-10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine?
N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine has a molecular weight of 282.84 g/mol, XLogP of 2.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-(diethylsulfamoyl)cyclopentanamine is sourced from PubChem (CID 55187453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).