4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol

C11H23NO2S — CID 62625148

IUPAC4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)10(13)4-5-12-6-8-15(14)9-7-12/h10,13H,4-9H2,1-3H3
InChIKeyKYUNPNAMQWVQCN-UHFFFAOYSA-N
MW233.38 g/mol
LogP0.85
Rot. Bonds3

About 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol

4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol (PubChem CID 62625148) has the molecular formula C11H23NO2S and a molecular weight of 233.38 g/mol. Its IUPAC name is 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
PubChem CID62625148
Molecular FormulaC11H23NO2S
Molecular Weight233.38 g/mol
Exact Mass233.14
IUPAC Name4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol
SMILESCC(C)(C)C(O)CCN1CCS(=O)CC1
InChIInChI=1S/C11H23NO2S/c1-11(2,3)10(13)4-5-12-6-8-15(14)9-7-12/h10,13H,4-9H2,1-3H3
InChIKeyKYUNPNAMQWVQCN-UHFFFAOYSA-N
XLogP0.85
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.38
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-morpholin-4-ylpentan-3-ol
CID 62622858
4,4-dimethyl-1-(4-methyl-1,4-diazepan-1-yl)pentan-3-ol
CID 62624803
4-(3,3-dimethylbutyl)-1,4-thiazinane 1-oxide
CID 68641609
1-(4-ethylpiperidin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623574
1-(4-cyclopropylpiperazin-1-yl)-4,4-dimethylpentan-3-ol
CID 62623930
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanoic acid
CID 63053759
3-methyl-1-(1-oxo-1,4-thiazinan-4-yl)butan-2-one
CID 79395365
1-[3-(dimethylamino)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 63169311
1-(3-methoxypyrrolidin-1-yl)-4,4-dimethylpentan-3-ol
CID 103539229
2-amino-4-(1-oxo-1,4-thiazinan-4-yl)butanenitrile
CID 63030266
4-(1-oxo-1,4-thiazinan-4-yl)-2-(propylamino)butanoic acid
CID 55144124
1-[3-(methoxymethyl)pyrrolidin-1-yl]-4,4-dimethylpentan-3-ol
CID 64581992

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol?
The IUPAC name of 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol (CID 62625148) is 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol.
What is the SMILES notation for 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol?
The canonical SMILES for 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol is CC(C)(C)C(O)CCN1CCS(=O)CC1.
What is the InChIKey of 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol?
The InChIKey is KYUNPNAMQWVQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2S/c1-11(2,3)10(13)4-5-12-6-8-15(14)9-7-12/h10,13H,4-9H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol?
4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol has a molecular weight of 233.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(1-oxo-1,4-thiazinan-4-yl)pentan-3-ol is sourced from PubChem (CID 62625148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).