(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine

C10H20FNS — CID 146490757

IUPAC(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
SMILESCSC(C)C1CN(C(C)C)C[C@H]1F
InChIInChI=1S/C10H20FNS/c1-7(2)12-5-9(8(3)13-4)10(11)6-12/h7-10H,5-6H2,1-4H3/t8?,9?,10-/m1/s1
InChIKeyDAMGSXJWELWDGA-UDNWOFFPSA-N
MW205.34 g/mol
LogP2.42
Rot. Bonds3

About (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine

(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine (PubChem CID 146490757) has the molecular formula C10H20FNS and a molecular weight of 205.34 g/mol. Its IUPAC name is (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
PubChem CID146490757
Molecular FormulaC10H20FNS
Molecular Weight205.34 g/mol
Exact Mass205.13
IUPAC Name(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine
SMILESCSC(C)C1CN(C(C)C)C[C@H]1F
InChIInChI=1S/C10H20FNS/c1-7(2)12-5-9(8(3)13-4)10(11)6-12/h7-10H,5-6H2,1-4H3/t8?,9?,10-/m1/s1
InChIKeyDAMGSXJWELWDGA-UDNWOFFPSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine?
The IUPAC name of (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine (CID 146490757) is (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine?
The canonical SMILES for (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine is CSC(C)C1CN(C(C)C)C[C@H]1F.
What is the InChIKey of (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine?
The InChIKey is DAMGSXJWELWDGA-UDNWOFFPSA-N. The full InChI is InChI=1S/C10H20FNS/c1-7(2)12-5-9(8(3)13-4)10(11)6-12/h7-10H,5-6H2,1-4H3/t8?,9?,10-/m1/s1.
What are the key properties of (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine?
(3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine has a molecular weight of 205.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-4-(1-methylsulfanylethyl)-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 146490757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).