N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane

C10H25FN2S — CID 172575190

IUPACN-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane
SMILESCC(C)N(C)CCSN(C)C.CCF
InChIInChI=1S/C8H20N2S.C2H5F/c1-8(2)10(5)6-7-11-9(3)4;1-2-3/h8H,6-7H2,1-5H3;2H2,1H3
InChIKeyLQLSYWDATRJFGF-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.51
Rot. Bonds5

About N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane

N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane (PubChem CID 172575190) has the molecular formula C10H25FN2S and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane.

Molecular Properties

Compound NameN-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane
PubChem CID172575190
Molecular FormulaC10H25FN2S
Molecular Weight224.39 g/mol
Exact Mass224.17
IUPAC NameN-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane
SMILESCC(C)N(C)CCSN(C)C.CCF
InChIInChI=1S/C8H20N2S.C2H5F/c1-8(2)10(5)6-7-11-9(3)4;1-2-3/h8H,6-7H2,1-5H3;2H2,1H3
InChIKeyLQLSYWDATRJFGF-UHFFFAOYSA-N
XLogP2.51
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane?
The IUPAC name of N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane (CID 172575190) is N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane.
What is the SMILES notation for N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane?
The canonical SMILES for N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane is CC(C)N(C)CCSN(C)C.CCF.
What is the InChIKey of N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane?
The InChIKey is LQLSYWDATRJFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2S.C2H5F/c1-8(2)10(5)6-7-11-9(3)4;1-2-3/h8H,6-7H2,1-5H3;2H2,1H3.
What are the key properties of N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane?
N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane has a molecular weight of 224.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylaminosulfanyl)ethyl]-N-methylpropan-2-amine;fluoroethane is sourced from PubChem (CID 172575190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).