2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane

C11H25N3O2S — CID 79871427

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCN(CCCN)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H25N3O2S/c1-11(2)7-4-6-10(11)13-17(15,16)14(3)9-5-8-12/h10,13H,4-9,12H2,1-3H3
InChIKeyHGWHRUMRCQEFER-UHFFFAOYSA-N
MW263.41 g/mol
LogP0.68
Rot. Bonds6

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane (PubChem CID 79871427) has the molecular formula C11H25N3O2S and a molecular weight of 263.41 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane
PubChem CID79871427
Molecular FormulaC11H25N3O2S
Molecular Weight263.41 g/mol
Exact Mass263.17
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane
SMILESCN(CCCN)S(=O)(=O)NC1CCCC1(C)C
InChIInChI=1S/C11H25N3O2S/c1-11(2)7-4-6-10(11)13-17(15,16)14(3)9-5-8-12/h10,13H,4-9,12H2,1-3H3
InChIKeyHGWHRUMRCQEFER-UHFFFAOYSA-N
XLogP0.68
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane (CID 79871427) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane is CN(CCCN)S(=O)(=O)NC1CCCC1(C)C.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane?
The InChIKey is HGWHRUMRCQEFER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2S/c1-11(2)7-4-6-10(11)13-17(15,16)14(3)9-5-8-12/h10,13H,4-9,12H2,1-3H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane has a molecular weight of 263.41 g/mol, XLogP of 0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-1,1-dimethylcyclopentane is sourced from PubChem (CID 79871427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).