N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine

C10H24N2O2S — CID 87515554

IUPACN',N'-diethyl-1-propylsulfonylpropane-1,3-diamine
SMILESCCCS(=O)(=O)C(N)CCN(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-4-9-15(13,14)10(11)7-8-12(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyBCXRJKSCIQNPCQ-UHFFFAOYSA-N
MW236.38 g/mol
LogP0.83
Rot. Bonds8

About N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine

N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine (PubChem CID 87515554) has the molecular formula C10H24N2O2S and a molecular weight of 236.38 g/mol. Its IUPAC name is N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-1-propylsulfonylpropane-1,3-diamine
PubChem CID87515554
Molecular FormulaC10H24N2O2S
Molecular Weight236.38 g/mol
Exact Mass236.16
IUPAC NameN',N'-diethyl-1-propylsulfonylpropane-1,3-diamine
SMILESCCCS(=O)(=O)C(N)CCN(CC)CC
InChIInChI=1S/C10H24N2O2S/c1-4-9-15(13,14)10(11)7-8-12(5-2)6-3/h10H,4-9,11H2,1-3H3
InChIKeyBCXRJKSCIQNPCQ-UHFFFAOYSA-N
XLogP0.83
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
CID 649823
3-((3-(Dimethylamino)propyl)amino)tetrahydrothiophene 1,1-dioxide
CID 3131597
Butylaminosulfolane
CID 129793596
3-[Bis(3-aminopropyl)-methylazaniumyl]propane-1-sulfonate
CID 54674909
N-[3-(methylamino)propyl]-N-(3-methylsulfinylpropyl)methanesulfonamide
CID 56993279
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-ethylpropan-1-amine
CID 61348835
3-(1,1-dioxo-1,4-thiazinan-4-yl)-N-methylpropan-1-amine
CID 61349406
N-methyl-3-[3-(methylamino)propylsulfonyl]propan-1-amine
CID 87751725
3-((3-Aminopropyl)dimethylammonio)propane-1-sulfonate
CID 90024269
1-(2-aminoethylsulfonyl)-N-methylpentan-1-amine
CID 91528667
N',N'-dimethyl-N-(2-propylsulfonylethyl)ethane-1,2-diamine
CID 103867342
[6-(Aminomethyl)-4-methyl-1,1-dioxo-1,4-thiazinan-2-yl]methanamine
CID 117810192

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine?
The IUPAC name of N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine (CID 87515554) is N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine is CCCS(=O)(=O)C(N)CCN(CC)CC.
What is the InChIKey of N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine?
The InChIKey is BCXRJKSCIQNPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2S/c1-4-9-15(13,14)10(11)7-8-12(5-2)6-3/h10H,4-9,11H2,1-3H3.
What are the key properties of N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine?
N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine has a molecular weight of 236.38 g/mol, XLogP of 0.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-1-propylsulfonylpropane-1,3-diamine is sourced from PubChem (CID 87515554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).