N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine

C13H29N3O3S — CID 110612730

IUPACN-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine
SMILESCCN(CC)CCOCCNS(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H29N3O3S/c1-3-16(4-2)10-12-19-11-9-14-20(17,18)15-13-7-5-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyFUMIDSIKXAVFOH-UHFFFAOYSA-N
MW307.46 g/mol
LogP0.71
Rot. Bonds11

About N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine

N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine (PubChem CID 110612730) has the molecular formula C13H29N3O3S and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine.

Molecular Properties

Compound NameN-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine
PubChem CID110612730
Molecular FormulaC13H29N3O3S
Molecular Weight307.46 g/mol
Exact Mass307.19
IUPAC NameN-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine
SMILESCCN(CC)CCOCCNS(=O)(=O)NC1CCCC1
InChIInChI=1S/C13H29N3O3S/c1-3-16(4-2)10-12-19-11-9-14-20(17,18)15-13-7-5-6-8-13/h13-15H,3-12H2,1-2H3
InChIKeyFUMIDSIKXAVFOH-UHFFFAOYSA-N
XLogP0.71
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine?
The IUPAC name of N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine (CID 110612730) is N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine.
What is the SMILES notation for N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine?
The canonical SMILES for N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine is CCN(CC)CCOCCNS(=O)(=O)NC1CCCC1.
What is the InChIKey of N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine?
The InChIKey is FUMIDSIKXAVFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O3S/c1-3-16(4-2)10-12-19-11-9-14-20(17,18)15-13-7-5-6-8-13/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine?
N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine has a molecular weight of 307.46 g/mol, XLogP of 0.71, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(diethylamino)ethoxy]ethylsulfamoyl]cyclopentanamine is sourced from PubChem (CID 110612730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).