(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine

C11H16FNS — CID 10608643

IUPAC(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyZVPMETLQHYSOTN-LLVKDONJSA-N
MW213.32 g/mol
LogP2.90
Rot. Bonds4

About (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine

(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine (PubChem CID 10608643) has the molecular formula C11H16FNS and a molecular weight of 213.32 g/mol. Its IUPAC name is (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine
PubChem CID10608643
Molecular FormulaC11H16FNS
Molecular Weight213.32 g/mol
Exact Mass213.10
IUPAC Name(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine
SMILESCC(C)[C@H](N)CSc1ccc(F)cc1
InChIInChI=1S/C11H16FNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m1/s1
InChIKeyZVPMETLQHYSOTN-LLVKDONJSA-N
XLogP2.90
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine?
The IUPAC name of (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine (CID 10608643) is (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine?
The canonical SMILES for (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine is CC(C)[C@H](N)CSc1ccc(F)cc1.
What is the InChIKey of (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine?
The InChIKey is ZVPMETLQHYSOTN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H16FNS/c1-8(2)11(13)7-14-10-5-3-9(12)4-6-10/h3-6,8,11H,7,13H2,1-2H3/t11-/m1/s1.
What are the key properties of (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine?
(2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-fluorophenyl)sulfanyl-3-methylbutan-2-amine is sourced from PubChem (CID 10608643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).