3-(2-fluoroethyl)thian-4-amine

C7H14FNS — CID 115012877

IUPAC3-(2-fluoroethyl)thian-4-amine
SMILESNC1CCSCC1CCF
InChIInChI=1S/C7H14FNS/c8-3-1-6-5-10-4-2-7(6)9/h6-7H,1-5,9H2
InChIKeyFOSMODPUFFQLFI-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds2

About 3-(2-fluoroethyl)thian-4-amine

3-(2-fluoroethyl)thian-4-amine (PubChem CID 115012877) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-(2-fluoroethyl)thian-4-amine.

Molecular Properties

Compound Name3-(2-fluoroethyl)thian-4-amine
PubChem CID115012877
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-(2-fluoroethyl)thian-4-amine
SMILESNC1CCSCC1CCF
InChIInChI=1S/C7H14FNS/c8-3-1-6-5-10-4-2-7(6)9/h6-7H,1-5,9H2
InChIKeyFOSMODPUFFQLFI-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-[(3R,4S)-4-aminothian-3-yl]acetate
CID 105443914
trans-(1S,4S)-2-(2-fluoroethyl)cyclohexane-1,4-diamine
CID 167427252
3-(thiophen-2-ylmethyl)thian-4-amine
CID 82394143
(4-cyclobutylthian-3-yl)methanamine
CID 84769832
4-butylthian-3-amine
CID 84766556
1-(3-aminothian-4-yl)propan-2-one
CID 115014220
4-fluoro-3-(thiolan-3-yl)butan-1-amine
CID 115015001
3-cyclohexylthian-4-amine
CID 82397575
(3S,4S)-3-propylthian-4-ol
CID 101042409
4-(cyclopentylmethyl)thian-3-amine
CID 84775465
2-(thiolan-3-yl)butan-1-amine
CID 82596112
2-methyl-3-(thiolan-3-yl)propan-1-amine
CID 117104663

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)thian-4-amine?
The IUPAC name of 3-(2-fluoroethyl)thian-4-amine (CID 115012877) is 3-(2-fluoroethyl)thian-4-amine.
What is the SMILES notation for 3-(2-fluoroethyl)thian-4-amine?
The canonical SMILES for 3-(2-fluoroethyl)thian-4-amine is NC1CCSCC1CCF.
What is the InChIKey of 3-(2-fluoroethyl)thian-4-amine?
The InChIKey is FOSMODPUFFQLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-3-1-6-5-10-4-2-7(6)9/h6-7H,1-5,9H2.
What are the key properties of 3-(2-fluoroethyl)thian-4-amine?
3-(2-fluoroethyl)thian-4-amine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)thian-4-amine is sourced from PubChem (CID 115012877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).