N-(2-fluoroethyl)-N-methylthian-3-amine

C8H16FNS — CID 131160446

IUPACN-(2-fluoroethyl)-N-methylthian-3-amine
SMILESCN(CCF)C1CCCSC1
InChIInChI=1S/C8H16FNS/c1-10(5-4-9)8-3-2-6-11-7-8/h8H,2-7H2,1H3
InChIKeyXDUGYJFUOQRIOZ-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.78
Rot. Bonds3

About N-(2-fluoroethyl)-N-methylthian-3-amine

N-(2-fluoroethyl)-N-methylthian-3-amine (PubChem CID 131160446) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methylthian-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methylthian-3-amine
PubChem CID131160446
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC NameN-(2-fluoroethyl)-N-methylthian-3-amine
SMILESCN(CCF)C1CCCSC1
InChIInChI=1S/C8H16FNS/c1-10(5-4-9)8-3-2-6-11-7-8/h8H,2-7H2,1H3
InChIKeyXDUGYJFUOQRIOZ-UHFFFAOYSA-N
XLogP1.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(r,s)-3-Isopropylsulfanyl-1-methyl-piperidine
CID 15063103
N-butyl-3-fluoro-N-(3-methylsulfanylpropyl)cyclobutan-1-amine
CID 126540000
(2R,3R)-2-methyl-3-methylsulfanyl-1-(2,2,2-trifluoroethyl)piperidine
CID 154952853
3,3-Difluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 155036689
1-Ethyl-3-ethylsulfanyl-4,4-difluoropiperidine
CID 166778105
4-Fluoro-4-methylsulfanyl-1-propan-2-ylpiperidine
CID 167008502
4-Fluoro-4-methylsulfanyl-1-propylpiperidine
CID 167009284
1-Ethyl-3-fluoro-3-methylsulfanylpiperidine
CID 167009401
3-Methyl-4-propan-2-yl-5-(trifluoromethyl)thiomorpholine
CID 176871810
N,N-dimethylthian-3-amine
CID 14024578
3-Ethyl-2,4-dimethylthiomorpholine
CID 12517922
2-Methyl-3.4-diathyl-thiomorpholin
CID 12517923

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methylthian-3-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methylthian-3-amine (CID 131160446) is N-(2-fluoroethyl)-N-methylthian-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methylthian-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methylthian-3-amine is CN(CCF)C1CCCSC1.
What is the InChIKey of N-(2-fluoroethyl)-N-methylthian-3-amine?
The InChIKey is XDUGYJFUOQRIOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-10(5-4-9)8-3-2-6-11-7-8/h8H,2-7H2,1H3.
What are the key properties of N-(2-fluoroethyl)-N-methylthian-3-amine?
N-(2-fluoroethyl)-N-methylthian-3-amine has a molecular weight of 177.29 g/mol, XLogP of 1.78, 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-methylthian-3-amine is sourced from PubChem (CID 131160446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).