N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine

C11H24N2O2S — CID 81080824

IUPACN'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O2S/c1-3-10(8-12)4-6-13(2)11-5-7-16(14,15)9-11/h10-11H,3-9,12H2,1-2H3
InChIKeySOJPSTSLLARDMX-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.48
Rot. Bonds6

About N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine

N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine (PubChem CID 81080824) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
PubChem CID81080824
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC NameN'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine
SMILESCCC(CN)CCN(C)C1CCS(=O)(=O)C1
InChIInChI=1S/C11H24N2O2S/c1-3-10(8-12)4-6-13(2)11-5-7-16(14,15)9-11/h10-11H,3-9,12H2,1-2H3
InChIKeySOJPSTSLLARDMX-UHFFFAOYSA-N
XLogP0.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-diethoxypropyl)-N-methyl-1,1-dioxothiolan-3-amine
CID 63628945
1-cyclopentyl-N-(1,1-dioxothiolan-3-yl)-N-methylethane-1,2-diamine
CID 55034622
3-[(1,1-dioxothiolan-3-yl)-methylamino]propanoic acid
CID 18801610
N'-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62256858
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 81168346
3-N-(1,1-dioxothiolan-3-yl)-3-N,2-dimethylbutane-1,3-diamine
CID 79408822
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
4-[(1,1-dioxothiolan-3-yl)-methylamino]-2,2-dimethylbutanimidamide
CID 65252742
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-2-methylidenepropane-1,3-diamine
CID 103069493
N'-(1,1-dioxothiolan-3-yl)-N'-methyl-N-(2-methylbutan-2-yl)ethane-1,2-diamine
CID 62561588
N-(1,1-dioxothiolan-3-yl)-1-(furan-3-yl)-N-methylethane-1,2-diamine
CID 55161654
5-[(1,1-dioxothiolan-3-yl)-methylamino]-N'-hydroxypentanimidamide
CID 54966234

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine (CID 81080824) is N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine is CCC(CN)CCN(C)C1CCS(=O)(=O)C1.
What is the InChIKey of N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine?
The InChIKey is SOJPSTSLLARDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-3-10(8-12)4-6-13(2)11-5-7-16(14,15)9-11/h10-11H,3-9,12H2,1-2H3.
What are the key properties of N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine?
N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine has a molecular weight of 248.39 g/mol, XLogP of 0.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothiolan-3-yl)-2-ethyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 81080824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).