1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

C13H22N2S2 — CID 54977279

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C2CCSC2)c(C)s1
InChIInChI=1S/C13H22N2S2/c1-9-6-12(10(2)17-9)13(7-14)15(3)11-4-5-16-8-11/h6,11,13H,4-5,7-8,14H2,1-3H3
InChIKeyTZMGMLXNNLVTDS-UHFFFAOYSA-N
MW270.47 g/mol
LogP2.80
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 54977279) has the molecular formula C13H22N2S2 and a molecular weight of 270.47 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID54977279
Molecular FormulaC13H22N2S2
Molecular Weight270.47 g/mol
Exact Mass270.12
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine
SMILESCc1cc(C(CN)N(C)C2CCSC2)c(C)s1
InChIInChI=1S/C13H22N2S2/c1-9-6-12(10(2)17-9)13(7-14)15(3)11-4-5-16-8-11/h6,11,13H,4-5,7-8,14H2,1-3H3
InChIKeyTZMGMLXNNLVTDS-UHFFFAOYSA-N
XLogP2.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine (CID 54977279) is 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is Cc1cc(C(CN)N(C)C2CCSC2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is TZMGMLXNNLVTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S2/c1-9-6-12(10(2)17-9)13(7-14)15(3)11-4-5-16-8-11/h6,11,13H,4-5,7-8,14H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine?
1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 270.47 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 54977279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).