N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane

C10H24N2O2S — CID 87515555

IUPACN',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane
SMILESCCC.CCN(CC)CCC(N)=S(=O)=O
InChIInChI=1S/C7H16N2O2S.C3H8/c1-3-9(4-2)6-5-7(8)12(10)11;1-3-2/h3-6,8H2,1-2H3;3H2,1-2H3
InChIKeyHCGTVNDDRFIKMH-UHFFFAOYSA-N
MW236.38 g/mol
LogP1.10
Rot. Bonds5

About N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane

N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane (PubChem CID 87515555) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane.

Molecular Properties

Compound NameN',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane
PubChem CID87515555
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane
SMILESCCC.CCN(CC)CCC(N)=S(=O)=O
InChIInChI=1S/C7H16N2O2S.C3H8/c1-3-9(4-2)6-5-7(8)12(10)11;1-3-2/h3-6,8H2,1-2H3;3H2,1-2H3
InChIKeyHCGTVNDDRFIKMH-UHFFFAOYSA-N
XLogP1.10
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane?
The IUPAC name of N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane (CID 87515555) is N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane.
What is the SMILES notation for N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane?
The canonical SMILES for N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane is CCC.CCN(CC)CCC(N)=S(=O)=O.
What is the InChIKey of N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane?
The InChIKey is HCGTVNDDRFIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O2S.C3H8/c1-3-9(4-2)6-5-7(8)12(10)11;1-3-2/h3-6,8H2,1-2H3;3H2,1-2H3.
What are the key properties of N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane?
N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane has a molecular weight of 236.38 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-sulfonylpropane-1,3-diamine;propane is sourced from PubChem (CID 87515555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).