[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine

C10H21FN2S — CID 170079973

IUPAC[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine
SMILESCS[C@@H]1C[C@](F)(CN)CN1C(C)(C)C
InChIInChI=1S/C10H21FN2S/c1-9(2,3)13-7-10(11,6-12)5-8(13)14-4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1
InChIKeyTZIARCVUZBLPOL-SCZZXKLOSA-N
MW220.36 g/mol
LogP1.85
Rot. Bonds2

About [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine

[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine (PubChem CID 170079973) has the molecular formula C10H21FN2S and a molecular weight of 220.36 g/mol. Its IUPAC name is [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine
PubChem CID170079973
Molecular FormulaC10H21FN2S
Molecular Weight220.36 g/mol
Exact Mass220.14
IUPAC Name[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine
SMILESCS[C@@H]1C[C@](F)(CN)CN1C(C)(C)C
InChIInChI=1S/C10H21FN2S/c1-9(2,3)13-7-10(11,6-12)5-8(13)14-4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1
InChIKeyTZIARCVUZBLPOL-SCZZXKLOSA-N
XLogP1.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine (CID 170079973) is [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine is CS[C@@H]1C[C@](F)(CN)CN1C(C)(C)C.
What is the InChIKey of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine?
The InChIKey is TZIARCVUZBLPOL-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H21FN2S/c1-9(2,3)13-7-10(11,6-12)5-8(13)14-4/h8H,5-7,12H2,1-4H3/t8-,10+/m1/s1.
What are the key properties of [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine?
[(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine has a molecular weight of 220.36 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-tert-butyl-3-fluoro-5-methylsulfanylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 170079973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).