N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine

C8H13NS2 — CID 91102867

IUPACN,N-dimethyl-2-thiophen-2-ylsulfanylethanamine
SMILESCN(C)CCSc1cccs1
InChIInChI=1S/C8H13NS2/c1-9(2)5-7-11-8-4-3-6-10-8/h3-4,6H,5,7H2,1-2H3
InChIKeyISDWHIHUIBZFFI-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.40
Rot. Bonds4

About N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine

N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine (PubChem CID 91102867) has the molecular formula C8H13NS2 and a molecular weight of 187.33 g/mol. Its IUPAC name is N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-thiophen-2-ylsulfanylethanamine
PubChem CID91102867
Molecular FormulaC8H13NS2
Molecular Weight187.33 g/mol
Exact Mass187.05
IUPAC NameN,N-dimethyl-2-thiophen-2-ylsulfanylethanamine
SMILESCN(C)CCSc1cccs1
InChIInChI=1S/C8H13NS2/c1-9(2)5-7-11-8-4-3-6-10-8/h3-4,6H,5,7H2,1-2H3
InChIKeyISDWHIHUIBZFFI-UHFFFAOYSA-N
XLogP2.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine?
The IUPAC name of N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine (CID 91102867) is N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine.
What is the SMILES notation for N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine?
The canonical SMILES for N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine is CN(C)CCSc1cccs1.
What is the InChIKey of N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine?
The InChIKey is ISDWHIHUIBZFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NS2/c1-9(2)5-7-11-8-4-3-6-10-8/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine?
N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine has a molecular weight of 187.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-thiophen-2-ylsulfanylethanamine is sourced from PubChem (CID 91102867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).