3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol

C10H21NO3S — CID 106172438

IUPAC3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)N1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-10(2,6-8-12)11-7-4-5-9-15(11,13)14/h12H,3-9H2,1-2H3
InChIKeyJKSHWHVWEYVNOP-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.96
Rot. Bonds4

About 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol

3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol (PubChem CID 106172438) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
PubChem CID106172438
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)N1CCCCS1(=O)=O
InChIInChI=1S/C10H21NO3S/c1-3-10(2,6-8-12)11-7-4-5-9-15(11,13)14/h12H,3-9H2,1-2H3
InChIKeyJKSHWHVWEYVNOP-UHFFFAOYSA-N
XLogP0.96
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 58910215
3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
CID 83822487
2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 158323141
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
CID 62049092
2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
CID 116816826
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
4-(1,1-dioxo-1,2-thiazolidin-2-yl)-3,3-dimethylbutan-1-ol
CID 106145959
2-[(1,1-dioxothiazinan-2-yl)methyl]-2-ethylbutan-1-ol
CID 106253912
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
CID 64700411
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-ethylbutanenitrile
CID 61122349
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
N-[2-(1,1-dioxothiazinan-2-yl)ethyl]-2,2-dimethylbutanamide
CID 59779901

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol (CID 106172438) is 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol is CCC(C)(CCO)N1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol?
The InChIKey is JKSHWHVWEYVNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-3-10(2,6-8-12)11-7-4-5-9-15(11,13)14/h12H,3-9H2,1-2H3.
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol?
3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol has a molecular weight of 235.35 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol is sourced from PubChem (CID 106172438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).