N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine

C8H16FNOS — CID 130683915

IUPACN-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine
SMILESCN(CCF)C1CCS(=O)CC1
InChIInChI=1S/C8H16FNOS/c1-10(5-4-9)8-2-6-12(11)7-3-8/h8H,2-7H2,1H3
InChIKeyUMHUROKRNGEGNJ-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.80
Rot. Bonds3

About N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine

N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine (PubChem CID 130683915) has the molecular formula C8H16FNOS and a molecular weight of 193.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine
PubChem CID130683915
Molecular FormulaC8H16FNOS
Molecular Weight193.29 g/mol
Exact Mass193.09
IUPAC NameN-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine
SMILESCN(CCF)C1CCS(=O)CC1
InChIInChI=1S/C8H16FNOS/c1-10(5-4-9)8-2-6-12(11)7-3-8/h8H,2-7H2,1H3
InChIKeyUMHUROKRNGEGNJ-UHFFFAOYSA-N
XLogP0.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine (CID 130683915) is N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine is CN(CCF)C1CCS(=O)CC1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine?
The InChIKey is UMHUROKRNGEGNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNOS/c1-10(5-4-9)8-2-6-12(11)7-3-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine?
N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine has a molecular weight of 193.29 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-1-oxothian-4-amine is sourced from PubChem (CID 130683915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).