1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine

C13H21NS2 — CID 80583978

IUPAC1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCCS2)c(C)s1
InChIInChI=1S/C13H21NS2/c1-9-7-13(11(3)16-9)10(2)14-8-12-5-4-6-15-12/h7,10,12,14H,4-6,8H2,1-3H3
InChIKeyUUZAPBQLNDGPLP-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.91
Rot. Bonds4

About 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine

1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine (PubChem CID 80583978) has the molecular formula C13H21NS2 and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
PubChem CID80583978
Molecular FormulaC13H21NS2
Molecular Weight255.45 g/mol
Exact Mass255.11
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine
SMILESCc1cc(C(C)NCC2CCCS2)c(C)s1
InChIInChI=1S/C13H21NS2/c1-9-7-13(11(3)16-9)10(2)14-8-12-5-4-6-15-12/h7,10,12,14H,4-6,8H2,1-3H3
InChIKeyUUZAPBQLNDGPLP-UHFFFAOYSA-N
XLogP3.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine (CID 80583978) is 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine is Cc1cc(C(C)NCC2CCCS2)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine?
The InChIKey is UUZAPBQLNDGPLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NS2/c1-9-7-13(11(3)16-9)10(2)14-8-12-5-4-6-15-12/h7,10,12,14H,4-6,8H2,1-3H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine?
1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine has a molecular weight of 255.45 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-N-(thiolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 80583978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).