1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

C11H24N2O2S — CID 43511606

IUPAC1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,13(3)4)9-12-10-5-7-16(14,15)8-6-10/h10,12H,5-9H2,1-4H3
InChIKeyJUVOHVSSVFWUTO-UHFFFAOYSA-N
MW248.39 g/mol
LogP0.49
Rot. Bonds4

About 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine

1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 43511606) has the molecular formula C11H24N2O2S and a molecular weight of 248.39 g/mol. Its IUPAC name is 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID43511606
Molecular FormulaC11H24N2O2S
Molecular Weight248.39 g/mol
Exact Mass248.16
IUPAC Name1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)C(C)(C)CNC1CCS(=O)(=O)CC1
InChIInChI=1S/C11H24N2O2S/c1-11(2,13(3)4)9-12-10-5-7-16(14,15)8-6-10/h10,12H,5-9H2,1-4H3
InChIKeyJUVOHVSSVFWUTO-UHFFFAOYSA-N
XLogP0.49
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 43511606) is 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)C(C)(C)CNC1CCS(=O)(=O)CC1.
What is the InChIKey of 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is JUVOHVSSVFWUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2S/c1-11(2,13(3)4)9-12-10-5-7-16(14,15)8-6-10/h10,12H,5-9H2,1-4H3.
What are the key properties of 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 248.39 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1,1-dioxothian-4-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 43511606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).