(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one

C14H25F2NOS — CID 54237407

IUPAC(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one
SMILESCC(C)SCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H25F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-12H,3-9,17H2,1-2H3/t12-/m0/s1
InChIKeyQNNUZLBGDZFFJO-LBPRGKRZSA-N
MW293.42 g/mol
LogP3.63
Rot. Bonds7

About (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one

(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one (PubChem CID 54237407) has the molecular formula C14H25F2NOS and a molecular weight of 293.42 g/mol. Its IUPAC name is (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one.

Molecular Properties

Compound Name(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one
PubChem CID54237407
Molecular FormulaC14H25F2NOS
Molecular Weight293.42 g/mol
Exact Mass293.16
IUPAC Name(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one
SMILESCC(C)SCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1
InChIInChI=1S/C14H25F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-12H,3-9,17H2,1-2H3/t12-/m0/s1
InChIKeyQNNUZLBGDZFFJO-LBPRGKRZSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one?
The IUPAC name of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one (CID 54237407) is (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one.
What is the SMILES notation for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one?
The canonical SMILES for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one is CC(C)SCC(F)(F)C(=O)[C@@H](N)CC1CCCCC1.
What is the InChIKey of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one?
The InChIKey is QNNUZLBGDZFFJO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H25F2NOS/c1-10(2)19-9-14(15,16)13(18)12(17)8-11-6-4-3-5-7-11/h10-12H,3-9,17H2,1-2H3/t12-/m0/s1.
What are the key properties of (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one?
(4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one has a molecular weight of 293.42 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-5-cyclohexyl-2,2-difluoro-1-propan-2-ylsulfanylpentan-3-one is sourced from PubChem (CID 54237407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).