3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine

C9H20N2O2S — CID 83822487

IUPAC3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)N1CCCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2,5-6-10)11-7-3-4-8-14(11,12)13/h3-8,10H2,1-2H3
InChIKeyPEUATCUBRJNKDF-UHFFFAOYSA-N
MW220.34 g/mol
LogP0.54
Rot. Bonds3

About 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine

3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine (PubChem CID 83822487) has the molecular formula C9H20N2O2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
PubChem CID83822487
Molecular FormulaC9H20N2O2S
Molecular Weight220.34 g/mol
Exact Mass220.12
IUPAC Name3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine
SMILESCC(C)(CCN)N1CCCCS1(=O)=O
InChIInChI=1S/C9H20N2O2S/c1-9(2,5-6-10)11-7-3-4-8-14(11,12)13/h3-8,10H2,1-2H3
InChIKeyPEUATCUBRJNKDF-UHFFFAOYSA-N
XLogP0.54
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,1-dioxo-1,2-thiazolidin-2-yl)-4-methylpentanoic acid
CID 62049092
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N,2-dimethylpropan-1-amine
CID 117029844
2-tert-butylthiazinane 1,1-dioxide;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 158323141
3-(1,1-dioxothiazinan-2-yl)-3-methylpentan-1-ol
CID 106172438
2-(2-methylbut-3-yn-2-yl)thiazinane 1,1-dioxide
CID 116816826
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-3-methylbutanoic acid
CID 64700411
2-(4-amino-2-methylbutan-2-yl)-1,1-dioxothiazinan-3-one
CID 117029939
2-(3-methylpentan-3-yl)-1,2-thiazolidine 1,1-dioxide
CID 58910215
3-(1,1-dioxothiazinan-2-yl)-2,2-dimethylpropan-1-ol
CID 116816741
5-(1,1-dioxothiazinan-2-yl)-4,4-dimethylpentan-1-ol
CID 106146109
N-tert-butyl-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687876
1-tert-butylpyrrolidin-2-one;2-tert-butyl-1,2-thiazolidine 1,1-dioxide
CID 159975353

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine?
The IUPAC name of 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine (CID 83822487) is 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine?
The canonical SMILES for 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine is CC(C)(CCN)N1CCCCS1(=O)=O.
What is the InChIKey of 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine?
The InChIKey is PEUATCUBRJNKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2S/c1-9(2,5-6-10)11-7-3-4-8-14(11,12)13/h3-8,10H2,1-2H3.
What are the key properties of 3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine?
3-(1,1-dioxothiazinan-2-yl)-3-methylbutan-1-amine has a molecular weight of 220.34 g/mol, XLogP of 0.54, 3 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-methylbutan-1-amine is sourced from PubChem (CID 83822487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).