2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine

C9H17NS2 — CID 70499432

IUPAC2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSCC1=CCCS1
InChIInChI=1S/C9H17NS2/c1-10(2)5-7-11-8-9-4-3-6-12-9/h4H,3,5-8H2,1-2H3
InChIKeyRHUDXNCVOMYVDM-UHFFFAOYSA-N
MW203.38 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine

2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine (PubChem CID 70499432) has the molecular formula C9H17NS2 and a molecular weight of 203.38 g/mol. Its IUPAC name is 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine
PubChem CID70499432
Molecular FormulaC9H17NS2
Molecular Weight203.38 g/mol
Exact Mass203.08
IUPAC Name2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine
SMILESCN(C)CCSCC1=CCCS1
InChIInChI=1S/C9H17NS2/c1-10(2)5-7-11-8-9-4-3-6-12-9/h4H,3,5-8H2,1-2H3
InChIKeyRHUDXNCVOMYVDM-UHFFFAOYSA-N
XLogP2.30
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.38
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine?
The IUPAC name of 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine (CID 70499432) is 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine.
What is the SMILES notation for 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine?
The canonical SMILES for 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine is CN(C)CCSCC1=CCCS1.
What is the InChIKey of 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine?
The InChIKey is RHUDXNCVOMYVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NS2/c1-10(2)5-7-11-8-9-4-3-6-12-9/h4H,3,5-8H2,1-2H3.
What are the key properties of 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine?
2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine has a molecular weight of 203.38 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothiophen-5-ylmethylsulfanyl)-N,N-dimethylethanamine is sourced from PubChem (CID 70499432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).