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

C13H18FNOS — CID 95632821

IUPAC4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide
SMILESCC[C@@H](c1ccc(F)cc1)N1CCS(=O)CC1
InChIInChI=1S/C13H18FNOS/c1-2-13(11-3-5-12(14)6-4-11)15-7-9-17(16)10-8-15/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyDBDGQMXBTDYRKJ-ZDUSSCGKSA-N
MW255.36 g/mol
LogP2.34
Rot. Bonds3

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

4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide (PubChem CID 95632821) has the molecular formula C13H18FNOS and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide
PubChem CID95632821
Molecular FormulaC13H18FNOS
Molecular Weight255.36 g/mol
Exact Mass255.11
IUPAC Name4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide
SMILESCC[C@@H](c1ccc(F)cc1)N1CCS(=O)CC1
InChIInChI=1S/C13H18FNOS/c1-2-13(11-3-5-12(14)6-4-11)15-7-9-17(16)10-8-15/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1
InChIKeyDBDGQMXBTDYRKJ-ZDUSSCGKSA-N
XLogP2.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-Methylbenzyl)thiomorpholine
CID 785812
4-(3-Methylbenzyl)thiomorpholine
CID 792738
4-(4-Isopropylbenzyl)thiomorpholine
CID 792753
4-(4-Ethylbenzyl)thiomorpholine
CID 792772
4-(3-Fluorobenzyl)thiomorpholine
CID 1377206
Esproquin Hydrochloride
CID 31950
4-Benzylthiomorpholine 1,1-Dioxide
CID 318454
4-[(4-Methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
CID 2815708
4-[3-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3325305
4-[2-(Trifluoromethyl)benzyl]-1lambda~6~,4-thiazinane-1,1-dione
CID 3837112
4-(3,4-Difluorobenzyl)thiomorpholine
CID 792677
N-Ethyl-N-[2-(2-fluoro-phenyl)-2-(4-methyl-piperazin-1-yl)-ethyl]-methanesulfonamide
CID 44404543

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide?
The IUPAC name of 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide (CID 95632821) is 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide is CC[C@@H](c1ccc(F)cc1)N1CCS(=O)CC1.
What is the InChIKey of 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide?
The InChIKey is DBDGQMXBTDYRKJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18FNOS/c1-2-13(11-3-5-12(14)6-4-11)15-7-9-17(16)10-8-15/h3-6,13H,2,7-10H2,1H3/t13-/m0/s1.
What are the key properties of 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide?
4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide has a molecular weight of 255.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-(4-fluorophenyl)propyl]-1,4-thiazinane 1-oxide is sourced from PubChem (CID 95632821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).