3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine

C8H16FNS — CID 105437223

IUPAC3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCNCCC(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-10-4-2-8(9)7-3-5-11-6-7/h7-8,10H,2-6H2,1H3
InChIKeyXDIUYPHHWDKTQI-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.69
Rot. Bonds4

About 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine

3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine (PubChem CID 105437223) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
PubChem CID105437223
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
SMILESCNCCC(F)C1CCSC1
InChIInChI=1S/C8H16FNS/c1-10-4-2-8(9)7-3-5-11-6-7/h7-8,10H,2-6H2,1H3
InChIKeyXDIUYPHHWDKTQI-UHFFFAOYSA-N
XLogP1.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
5,5,6,6,6-pentafluoro-N-methyl-4-[2-[6-(methylamino)-3-(1,1,2,2,2-pentafluoroethyl)hexyl]sulfanylethyl]hexan-1-amine
CID 54175511
2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
CID 163788703
2-(cyclopentylmethylsulfanyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 63119998
4-(Fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306131
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
4-(Fluoromethyl)-1-thia-7-azaspiro[4.4]nonane
CID 71306211
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine (CID 105437223) is 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine is CNCCC(F)C1CCSC1.
What is the InChIKey of 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
The InChIKey is XDIUYPHHWDKTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-10-4-2-8(9)7-3-5-11-6-7/h7-8,10H,2-6H2,1H3.
What are the key properties of 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine?
3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine has a molecular weight of 177.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine is sourced from PubChem (CID 105437223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).