4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide

C14H21NO2S — CID 24728036

IUPAC4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(CCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2S/c16-18-11-8-15(9-12-18)7-4-10-17-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyKMASCPIOWDGQES-UHFFFAOYSA-N
MW267.39 g/mol
LogP1.66
Rot. Bonds6

About 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide

4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide (PubChem CID 24728036) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide.

Molecular Properties

Compound Name4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
PubChem CID24728036
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC Name4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide
SMILESO=S1CCN(CCCOCc2ccccc2)CC1
InChIInChI=1S/C14H21NO2S/c16-18-11-8-15(9-12-18)7-4-10-17-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2
InChIKeyKMASCPIOWDGQES-UHFFFAOYSA-N
XLogP1.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(2-phenylmethoxyethyl)piperazine
CID 2973061
1-methyl-4-(2-phenylmethoxyethyl)piperazine
CID 13309119
phenyl-[4-(3-phenylmethoxypropyl)-1,4-diazepan-1-yl]methanone
CID 138387446
1-(6-phenylmethoxyhexyl)piperidine-4-carboxamide
CID 139907384
1-(2-phenylmethoxyethyl)piperazine;dihydrochloride
CID 154704526
1-[2-[(4-benzylphenyl)methoxy]ethyl]pyrrolidine
CID 10732658
bis(3-[4-(2-phenylmethoxyethyl)piperazin-1-yl]propanoic acid);hydrate
CID 156599366
8-(2-phenylmethoxyethyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 130536954
4-(2-phenylmethoxyethyl)-1,4-diazabicyclo[3.2.2]nonane
CID 11436891
(1-methylcyclopropyl)-[4-(3-phenylmethoxypropyl)-1,4-diazepan-1-yl]methanone
CID 137336558
formic acid;(4R,5S)-7-(3-phenylmethoxypropyl)-7-azaspiro[4.5]decan-4-ol
CID 154918067
1-[3-(4-phenylbutoxy)propyl]piperidin-4-amine
CID 141012583

Frequently Asked Questions

What is the IUPAC name of 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide?
The IUPAC name of 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide (CID 24728036) is 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide.
What is the SMILES notation for 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide?
The canonical SMILES for 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide is O=S1CCN(CCCOCc2ccccc2)CC1.
What is the InChIKey of 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide?
The InChIKey is KMASCPIOWDGQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-18-11-8-15(9-12-18)7-4-10-17-13-14-5-2-1-3-6-14/h1-3,5-6H,4,7-13H2.
What are the key properties of 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide?
4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide has a molecular weight of 267.39 g/mol, XLogP of 1.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-phenylmethoxypropyl)-1,4-thiazinane 1-oxide is sourced from PubChem (CID 24728036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).