N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine

C18H24N2O4S2 — CID 11036713

IUPACN,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)Cc1scc2c1OCCO2)Cc1scc2c1OCCO2
InChIInChI=1S/C18H24N2O4S2/c1-19(9-15-17-13(11-25-15)21-5-7-23-17)3-4-20(2)10-16-18-14(12-26-16)22-6-8-24-18/h11-12H,3-10H2,1-2H3
InChIKeyLGCOVBWRKDAGCH-UHFFFAOYSA-N
MW396.53 g/mol
LogP2.92
Rot. Bonds7

About N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine

N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine (PubChem CID 11036713) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
PubChem CID11036713
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC NameN,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine
SMILESCN(CCN(C)Cc1scc2c1OCCO2)Cc1scc2c1OCCO2
InChIInChI=1S/C18H24N2O4S2/c1-19(9-15-17-13(11-25-15)21-5-7-23-17)3-4-20(2)10-16-18-14(12-26-16)22-6-8-24-18/h11-12H,3-10H2,1-2H3
InChIKeyLGCOVBWRKDAGCH-UHFFFAOYSA-N
XLogP2.92
TPSA43.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine (CID 11036713) is N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine is CN(CCN(C)Cc1scc2c1OCCO2)Cc1scc2c1OCCO2.
What is the InChIKey of N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
The InChIKey is LGCOVBWRKDAGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-19(9-15-17-13(11-25-15)21-5-7-23-17)3-4-20(2)10-16-18-14(12-26-16)22-6-8-24-18/h11-12H,3-10H2,1-2H3.
What are the key properties of N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine?
N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine has a molecular weight of 396.53 g/mol, XLogP of 2.92, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3-dihydrothieno[3,4-b][1,4]dioxin-5-ylmethyl)-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 11036713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).