N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

C13H28N2O2S — CID 79660148

IUPACN'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-7-15(11-13(2,3)10-14)12-5-8-18(16,17)9-6-12/h12H,4-11,14H2,1-3H3
InChIKeyZFKZVJWVQBPOAZ-UHFFFAOYSA-N
MW276.45 g/mol
LogP1.26
Rot. Bonds6

About N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine

N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (PubChem CID 79660148) has the molecular formula C13H28N2O2S and a molecular weight of 276.45 g/mol. Its IUPAC name is N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
PubChem CID79660148
Molecular FormulaC13H28N2O2S
Molecular Weight276.45 g/mol
Exact Mass276.19
IUPAC NameN'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
SMILESCCCN(CC(C)(C)CN)C1CCS(=O)(=O)CC1
InChIInChI=1S/C13H28N2O2S/c1-4-7-15(11-13(2,3)10-14)12-5-8-18(16,17)9-6-12/h12H,4-11,14H2,1-3H3
InChIKeyZFKZVJWVQBPOAZ-UHFFFAOYSA-N
XLogP1.26
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.45
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine with MolForge

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Related Compounds

N'-cyclobutyl-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668549
N'-cyclopropyl-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 62264209
N'-(2,2-dimethylcyclohexyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79847083
2,2-dimethyl-N'-(5-oxaspiro[3.5]nonan-8-yl)-N'-propylpropane-1,3-diamine
CID 79898830
N-cyclopropyl-N'-ethyl-2,2-dimethyl-N-propylpropane-1,3-diamine
CID 62263671
2-[(3-amino-2,2-dimethylpropyl)-methylamino]-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 79645531
N-(3-amino-2,2-dimethylpropyl)-N-propylcyclohexanecarboxamide
CID 79668335
N-(3-amino-2,2-dimethylpropyl)-3-cyclohexyl-N-propylpropanamide
CID 79667842
N-(3-amino-2,2-dimethylpropyl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 79652406
N'-ethyl-2,2-dimethyl-N'-(1-propylazepan-4-yl)propane-1,3-diamine
CID 79660581
N'-(1,1-dioxothiolan-3-yl)-2,2-diethyl-N'-methylpropane-1,3-diamine
CID 62256858
N'-(4,4-dimethylcycloheptyl)-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79660402

Frequently Asked Questions

What is the IUPAC name of N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The IUPAC name of N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine (CID 79660148) is N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine.
What is the SMILES notation for N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The canonical SMILES for N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is CCCN(CC(C)(C)CN)C1CCS(=O)(=O)CC1.
What is the InChIKey of N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
The InChIKey is ZFKZVJWVQBPOAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2S/c1-4-7-15(11-13(2,3)10-14)12-5-8-18(16,17)9-6-12/h12H,4-11,14H2,1-3H3.
What are the key properties of N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine?
N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine has a molecular weight of 276.45 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,1-dioxothian-4-yl)-2,2-dimethyl-N'-propylpropane-1,3-diamine is sourced from PubChem (CID 79660148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).