2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane

C13H29N3O2S — CID 106071113

IUPAC2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H29N3O2S/c1-5-14-10-7-11-16(4)19(17,18)15-12-8-6-9-13(12,2)3/h12,14-15H,5-11H2,1-4H3
InChIKeyCUKXSZXEXKVSPS-UHFFFAOYSA-N
MW291.46 g/mol
LogP1.33
Rot. Bonds8

About 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane

2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane (PubChem CID 106071113) has the molecular formula C13H29N3O2S and a molecular weight of 291.46 g/mol. Its IUPAC name is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
PubChem CID106071113
Molecular FormulaC13H29N3O2S
Molecular Weight291.46 g/mol
Exact Mass291.20
IUPAC Name2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C13H29N3O2S/c1-5-14-10-7-11-16(4)19(17,18)15-12-8-6-9-13(12,2)3/h12,14-15H,5-11H2,1-4H3
InChIKeyCUKXSZXEXKVSPS-UHFFFAOYSA-N
XLogP1.33
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.46
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The IUPAC name of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane (CID 106071113) is 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane.
What is the SMILES notation for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The canonical SMILES for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane is CCNCCCN(C)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
The InChIKey is CUKXSZXEXKVSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2S/c1-5-14-10-7-11-16(4)19(17,18)15-12-8-6-9-13(12,2)3/h12,14-15H,5-11H2,1-4H3.
What are the key properties of 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane?
2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane has a molecular weight of 291.46 g/mol, XLogP of 1.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(ethylamino)propyl-methylsulfamoyl]amino]-1,1-dimethylcyclopentane is sourced from PubChem (CID 106071113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).