2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane

C11H27N3O2S — CID 63844176

IUPAC2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane
SMILESCCC(CC)C(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O2S/c1-5-11(6-2)10(3)13-17(15,16)14(4)9-7-8-12/h10-11,13H,5-9,12H2,1-4H3
InChIKeyRUUIZEUSKPAQRO-UHFFFAOYSA-N
MW265.42 g/mol
LogP0.93
Rot. Bonds9

About 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane

2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane (PubChem CID 63844176) has the molecular formula C11H27N3O2S and a molecular weight of 265.42 g/mol. Its IUPAC name is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane.

Molecular Properties

Compound Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane
PubChem CID63844176
Molecular FormulaC11H27N3O2S
Molecular Weight265.42 g/mol
Exact Mass265.18
IUPAC Name2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane
SMILESCCC(CC)C(C)NS(=O)(=O)N(C)CCCN
InChIInChI=1S/C11H27N3O2S/c1-5-11(6-2)10(3)13-17(15,16)14(4)9-7-8-12/h10-11,13H,5-9,12H2,1-4H3
InChIKeyRUUIZEUSKPAQRO-UHFFFAOYSA-N
XLogP0.93
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 50.93
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]-3-ethylpentane?
The IUPAC name of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane (CID 63844176) is 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane.
What is the SMILES notation for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane?
The canonical SMILES for 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane is CCC(CC)C(C)NS(=O)(=O)N(C)CCCN.
What is the InChIKey of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane?
The InChIKey is RUUIZEUSKPAQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N3O2S/c1-5-11(6-2)10(3)13-17(15,16)14(4)9-7-8-12/h10-11,13H,5-9,12H2,1-4H3.
What are the key properties of 2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane?
2-[[3-aminopropyl(methyl)sulfamoyl]amino]-3-ethylpentane has a molecular weight of 265.42 g/mol, XLogP of 0.93, 9 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]-3-ethylpentane is sourced from PubChem (CID 63844176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).