(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one

C6H10F3NOS — CID 143500605

IUPAC(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
SMILESCC(=O)[C@@H](N)CCSC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-4(11)5(10)2-3-12-6(7,8)9/h5H,2-3,10H2,1H3/t5-/m0/s1
InChIKeyQXYMRQDWUZQQDA-YFKPBYRVSA-N
MW201.21 g/mol
LogP1.55
Rot. Bonds4

About (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one

(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one (PubChem CID 143500605) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one.

Molecular Properties

Compound Name(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
PubChem CID143500605
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one
SMILESCC(=O)[C@@H](N)CCSC(F)(F)F
InChIInChI=1S/C6H10F3NOS/c1-4(11)5(10)2-3-12-6(7,8)9/h5H,2-3,10H2,1H3/t5-/m0/s1
InChIKeyQXYMRQDWUZQQDA-YFKPBYRVSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(trifluoromethylsulfanyl)butanoate
CID 11127699
2-amino-4-(3-amino-4-oxopentyl)sulfanylbutanoic acid
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4-chloro-3-methyl-1-(trifluoromethylsulfanyl)pentane
CID 116617366
1-(trifluoromethylsulfanyl)pentan-3-amine
CID 116627767
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
2-amino-N-bromo-N-phenyl-4-(trifluoromethylsulfanyl)butanamide
CID 87194499
(3S)-3-amino-6-methylheptan-2-one
CID 88561356
(3R)-3-aminoheptane-2,6-dione
CID 154592232
3-amino-6,6-dihydroxyhexan-2-one
CID 91613059
6-(trifluoromethylsulfanyl)hexan-2-amine
CID 116627201
6-amino-2-[2-(trifluoromethylsulfanyl)ethyl]hexanoic acid
CID 116628344
2-amino-4-(3-methylbut-3-enylsulfanyl)butanoic acid
CID 114472697

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one?
The IUPAC name of (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one (CID 143500605) is (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one.
What is the SMILES notation for (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one?
The canonical SMILES for (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one is CC(=O)[C@@H](N)CCSC(F)(F)F.
What is the InChIKey of (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one?
The InChIKey is QXYMRQDWUZQQDA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10F3NOS/c1-4(11)5(10)2-3-12-6(7,8)9/h5H,2-3,10H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one?
(3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one has a molecular weight of 201.21 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-(trifluoromethylsulfanyl)pentan-2-one is sourced from PubChem (CID 143500605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).