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

C9H18FNS — CID 105445593

IUPAC3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCSC1
InChIInChI=1S/C9H18FNS/c1-9(10,4-5-11-2)8-3-6-12-7-8/h8,11H,3-7H2,1-2H3
InChIKeyRSSBFYUDJLDFBB-UHFFFAOYSA-N
MW191.31 g/mol
LogP2.08
Rot. Bonds4

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

3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine (PubChem CID 105445593) has the molecular formula C9H18FNS and a molecular weight of 191.31 g/mol. Its IUPAC name is 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine.

Molecular Properties

Compound Name3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine
PubChem CID105445593
Molecular FormulaC9H18FNS
Molecular Weight191.31 g/mol
Exact Mass191.11
IUPAC Name3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine
SMILESCNCCC(C)(F)C1CCSC1
InChIInChI=1S/C9H18FNS/c1-9(10,4-5-11-2)8-3-6-12-7-8/h8,11H,3-7H2,1-2H3
InChIKeyRSSBFYUDJLDFBB-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-fluoro-N-methyl-3-[(3R)-3-methylhexan-2-yl]sulfanylpropan-1-amine
CID 163788703
[(4S)-3,4-dimethyl-5-(2,2,2-trifluoroethyl)thiolan-2-yl]methanamine
CID 173844600
4-(Difluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306081
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-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723595
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
3-Fluoro-3-(thian-4-yl)pyrrolidine
CID 83817907
2-(3-fluorothiolan-3-yl)-N-methylethanamine
CID 84731545
2-(3-fluorothian-3-yl)-N-methylethanamine
CID 84732157

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine?
The IUPAC name of 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine (CID 105445593) is 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine.
What is the SMILES notation for 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine?
The canonical SMILES for 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine is CNCCC(C)(F)C1CCSC1.
What is the InChIKey of 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine?
The InChIKey is RSSBFYUDJLDFBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FNS/c1-9(10,4-5-11-2)8-3-6-12-7-8/h8,11H,3-7H2,1-2H3.
What are the key properties of 3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine?
3-fluoro-N-methyl-3-(thiolan-3-yl)butan-1-amine has a molecular weight of 191.31 g/mol, XLogP of 2.08, 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)butan-1-amine is sourced from PubChem (CID 105445593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).