(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide

C15H22FNOS — CID 129435393

IUPAC(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@@H](CN1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c1-12(13-4-6-14(16)7-5-13)10-17-8-9-19(18)15(2,3)11-17/h4-7,12H,8-11H2,1-3H3/t12-,19-/m0/s1
InChIKeyFCZPJWVBKKNFNG-BUXKBTBVSA-N
MW283.41 g/mol
LogP2.77
Rot. Bonds3

About (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide

(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide (PubChem CID 129435393) has the molecular formula C15H22FNOS and a molecular weight of 283.41 g/mol. Its IUPAC name is (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
PubChem CID129435393
Molecular FormulaC15H22FNOS
Molecular Weight283.41 g/mol
Exact Mass283.14
IUPAC Name(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide
SMILESC[C@@H](CN1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1
InChIInChI=1S/C15H22FNOS/c1-12(13-4-6-14(16)7-5-13)10-17-8-9-19(18)15(2,3)11-17/h4-7,12H,8-11H2,1-3H3/t12-,19-/m0/s1
InChIKeyFCZPJWVBKKNFNG-BUXKBTBVSA-N
XLogP2.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The IUPAC name of (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide (CID 129435393) is (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide.
What is the SMILES notation for (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The canonical SMILES for (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide is C[C@@H](CN1CC[S@](=O)C(C)(C)C1)c1ccc(F)cc1.
What is the InChIKey of (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
The InChIKey is FCZPJWVBKKNFNG-BUXKBTBVSA-N. The full InChI is InChI=1S/C15H22FNOS/c1-12(13-4-6-14(16)7-5-13)10-17-8-9-19(18)15(2,3)11-17/h4-7,12H,8-11H2,1-3H3/t12-,19-/m0/s1.
What are the key properties of (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide?
(1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide has a molecular weight of 283.41 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4-[(2R)-2-(4-fluorophenyl)propyl]-2,2-dimethyl-1,4-thiazinane 1-oxide is sourced from PubChem (CID 129435393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).