3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine

C12H24FNS — CID 58779039

IUPAC3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCSCC1C(F)CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H24FNS/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyMQKUQKWPBQOGNV-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.19
Rot. Bonds4

About 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine

3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine (PubChem CID 58779039) has the molecular formula C12H24FNS and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine
PubChem CID58779039
Molecular FormulaC12H24FNS
Molecular Weight233.40 g/mol
Exact Mass233.16
IUPAC Name3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine
SMILESCSCC1C(F)CC(C(C)C)N1C(C)C
InChIInChI=1S/C12H24FNS/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3
InChIKeyMQKUQKWPBQOGNV-UHFFFAOYSA-N
XLogP3.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-2-(methylsulfonylmethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58778967
3-Fluoro-5-methyl-2-(methylsulfanylmethyl)-1-propan-2-ylpyrrolidine
CID 71221023
3-Fluoro-1,5-dimethyl-2-(methylsulfanylmethyl)pyrrolidine
CID 142151835
(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
CID 146490757
3-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778374
2-(Methylsulfanylmethyl)-1,3-di(propan-2-yl)pyrrolidine
CID 58778428
3-(Methylsulfanylmethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778431
4-Methylsulfanyl-1,2-di(propan-2-yl)pyrrolidine
CID 58778463
2-(Methylsulfanylmethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778635
2-(Methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine
CID 58778902
4-(Methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58778938
(2S)-4-(methylsulfanylmethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611331

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The IUPAC name of 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine (CID 58779039) is 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine is CSCC1C(F)CC(C(C)C)N1C(C)C.
What is the InChIKey of 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
The InChIKey is MQKUQKWPBQOGNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24FNS/c1-8(2)11-6-10(13)12(7-15-5)14(11)9(3)4/h8-12H,6-7H2,1-5H3.
What are the key properties of 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine?
3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylsulfanylmethyl)-1,5-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 58779039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).