3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol

C8H17NO2S — CID 130775734

IUPAC3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)CCN1CCCO
InChIInChI=1S/C8H17NO2S/c1-8-7-12(11)6-4-9(8)3-2-5-10/h8,10H,2-7H2,1H3
InChIKeyCEXITTLDBPFAPJ-UHFFFAOYSA-N
MW191.30 g/mol
LogP-0.18
Rot. Bonds3

About 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol

3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol (PubChem CID 130775734) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol
PubChem CID130775734
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol
SMILESCC1CS(=O)CCN1CCCO
InChIInChI=1S/C8H17NO2S/c1-8-7-12(11)6-4-9(8)3-2-5-10/h8,10H,2-7H2,1H3
InChIKeyCEXITTLDBPFAPJ-UHFFFAOYSA-N
XLogP-0.18
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(3-methylbutyl)-1,4-thiazinane 1-oxide
CID 130651968
3-(2-methylazetidin-1-yl)propan-1-ol
CID 104549007
(3S)-4-(3-hydroxypropyl)-3-methylpiperazine-1-carboxylic acid
CID 68807533
3-(2,3-dimethylmorpholin-4-yl)propan-1-ol
CID 131152382
6-(1-oxo-1,4-thiazinan-4-yl)hexan-1-ol
CID 103737950
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
tert-butyl (3S)-4-(3-hydroxypropyl)-3-methylpiperazine-1-carboxylate
CID 58007390
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
3-(2,5-dimethylmorpholin-4-yl)propan-1-ol
CID 43430768
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]propan-1-ol
CID 114286796
[(2R)-azetidin-2-yl]-(3-methyl-1-oxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 131019720
(2S)-N,N-diethyl-1-(3-hydroxypropyl)pyrrolidine-2-carboxamide
CID 67200162

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The IUPAC name of 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol (CID 130775734) is 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol.
What is the SMILES notation for 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The canonical SMILES for 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol is CC1CS(=O)CCN1CCCO.
What is the InChIKey of 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
The InChIKey is CEXITTLDBPFAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-8-7-12(11)6-4-9(8)3-2-5-10/h8,10H,2-7H2,1H3.
What are the key properties of 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol?
3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol has a molecular weight of 191.30 g/mol, XLogP of -0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1-oxo-1,4-thiazinan-4-yl)propan-1-ol is sourced from PubChem (CID 130775734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).