2,2-dimethyl-1,1-dioxothietan-3-amine

C5H11NO2S — CID 75525635

IUPAC2,2-dimethyl-1,1-dioxothietan-3-amine
SMILESCC1(C)C(N)CS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(2)4(6)3-9(5,7)8/h4H,3,6H2,1-2H3
InChIKeyXUTLWVYZVWXBEY-UHFFFAOYSA-N
MW149.22 g/mol
LogP-0.48
Rot. Bonds

About 2,2-dimethyl-1,1-dioxothietan-3-amine

2,2-dimethyl-1,1-dioxothietan-3-amine (PubChem CID 75525635) has the molecular formula C5H11NO2S and a molecular weight of 149.22 g/mol. Its IUPAC name is 2,2-dimethyl-1,1-dioxothietan-3-amine.

Molecular Properties

Compound Name2,2-dimethyl-1,1-dioxothietan-3-amine
PubChem CID75525635
Molecular FormulaC5H11NO2S
Molecular Weight149.22 g/mol
Exact Mass149.05
IUPAC Name2,2-dimethyl-1,1-dioxothietan-3-amine
SMILESCC1(C)C(N)CS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-5(2)4(6)3-9(5,7)8/h4H,3,6H2,1-2H3
InChIKeyXUTLWVYZVWXBEY-UHFFFAOYSA-N
XLogP-0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2-dimethylcyclobutan-1-amine
CID 99645727
1-methylcyclopropane-1,2-diamine
CID 15182447
2,3-dimethyl-1,1-dioxo-3-propyl-1,2-thiazolidin-4-amine
CID 165475343
trans-(1S,3S)-2,2-dimethylcyclopentane-1,3-diamine
CID 99867045
(1R,6R,7R)-8,8-dimethyl-2,2-dioxo-2λ6-thiabicyclo[4.2.0]octan-7-amine
CID 125452339
4-N-(1,1-dioxothiolan-3-yl)-4-N-methylcyclohexane-1,4-diamine
CID 62806024
5-ethyl-6,6-dioxo-6λ6-thia-5-azaspiro[3.4]octan-8-amine
CID 165485789
trans-(1R,2S)-1-methylcyclobutane-1,2-diamine
CID 12699189
[1-(1,1-dioxothiolan-3-yl)-2,2-dimethylpiperidin-3-yl]methanamine
CID 117019706
1-(3-amino-2,2-dimethylcyclobutyl)imidazolidin-2-one
CID 130987498
(4R)-3-formyl-2,2-dimethyl-1,1-dioxo-1,3-thiazolidine-4-carboxamide
CID 95987453
6,6-dimethyl-1,1-dioxothiepan-2-amine
CID 91466096

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,1-dioxothietan-3-amine?
The IUPAC name of 2,2-dimethyl-1,1-dioxothietan-3-amine (CID 75525635) is 2,2-dimethyl-1,1-dioxothietan-3-amine.
What is the SMILES notation for 2,2-dimethyl-1,1-dioxothietan-3-amine?
The canonical SMILES for 2,2-dimethyl-1,1-dioxothietan-3-amine is CC1(C)C(N)CS1(=O)=O.
What is the InChIKey of 2,2-dimethyl-1,1-dioxothietan-3-amine?
The InChIKey is XUTLWVYZVWXBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-5(2)4(6)3-9(5,7)8/h4H,3,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-1,1-dioxothietan-3-amine?
2,2-dimethyl-1,1-dioxothietan-3-amine has a molecular weight of 149.22 g/mol, XLogP of -0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,1-dioxothietan-3-amine is sourced from PubChem (CID 75525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).