2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane

C8H20N2O4S2 — CID 173311356

IUPAC2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane
SMILESCCNS(=O)(=O)S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H20N2O4S2/c1-6-9-15(11,12)16(13,14)10(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyBIKJRVSNYHBVSI-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.29
Rot. Bonds6

About 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane

2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane (PubChem CID 173311356) has the molecular formula C8H20N2O4S2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane.

Molecular Properties

Compound Name2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane
PubChem CID173311356
Molecular FormulaC8H20N2O4S2
Molecular Weight272.39 g/mol
Exact Mass272.09
IUPAC Name2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane
SMILESCCNS(=O)(=O)S(=O)(=O)N(C(C)C)C(C)C
InChIInChI=1S/C8H20N2O4S2/c1-6-9-15(11,12)16(13,14)10(7(2)3)8(4)5/h7-9H,6H2,1-5H3
InChIKeyBIKJRVSNYHBVSI-UHFFFAOYSA-N
XLogP0.29
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(dimethylamino)propyl]-1-(ethylamino)propane-2-sulfonamide
CID 106017341
N,N-di(propan-2-yl)ethanesulfonamide
CID 3289511
N-[2-(dimethylamino)propyl]propane-2-sulfonamide
CID 61357181
1-N-(ethylsulfamoyl)-4-methylpentane-1,2-diamine
CID 114810500
N-[2-(dimethylamino)propyl]-1-(propan-2-ylamino)propane-2-sulfonamide
CID 114137559
2-ethyl-N-(ethylsulfamoyl)butan-1-amine
CID 115638452
N-ethyl-2-(2-methylpropylamino)ethanesulfonamide
CID 115876342
N-ethyl-1,1-difluoromethanesulfonamide
CID 43258972
1-(diethylsulfamoylamino)-2-methylpropane
CID 60708093
1-(ethylamino)-N-[2-[ethyl(methyl)amino]ethyl]propane-2-sulfonamide
CID 106055954
N-ethyl-4-methylpentane-1-sulfonamide
CID 121353244
2-amino-3-ethyl-1-(sulfamoylamino)pentane
CID 106286827

Frequently Asked Questions

What is the IUPAC name of 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane?
The IUPAC name of 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane (CID 173311356) is 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane.
What is the SMILES notation for 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane?
The canonical SMILES for 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane is CCNS(=O)(=O)S(=O)(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane?
The InChIKey is BIKJRVSNYHBVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2O4S2/c1-6-9-15(11,12)16(13,14)10(7(2)3)8(4)5/h7-9H,6H2,1-5H3.
What are the key properties of 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane?
2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane has a molecular weight of 272.39 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethylsulfamoylsulfonyl(propan-2-yl)amino]propane is sourced from PubChem (CID 173311356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).