N-methyl-1,1-dioxothiolan-2-amine

C5H11NO2S — CID 54237578

IUPACN-methyl-1,1-dioxothiolan-2-amine
SMILESCNC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-5-3-2-4-9(5,7)8/h5-6H,2-4H2,1H3
InChIKeyQNQREASJVXCSSC-UHFFFAOYSA-N
MW149.21 g/mol
LogP-0.26
Rot. Bonds1

About N-methyl-1,1-dioxothiolan-2-amine

N-methyl-1,1-dioxothiolan-2-amine (PubChem CID 54237578) has the molecular formula C5H11NO2S and a molecular weight of 149.21 g/mol. Its IUPAC name is N-methyl-1,1-dioxothiolan-2-amine.

Molecular Properties

Compound NameN-methyl-1,1-dioxothiolan-2-amine
PubChem CID54237578
Molecular FormulaC5H11NO2S
Molecular Weight149.21 g/mol
Exact Mass149.05
IUPAC NameN-methyl-1,1-dioxothiolan-2-amine
SMILESCNC1CCCS1(=O)=O
InChIInChI=1S/C5H11NO2S/c1-6-5-3-2-4-9(5,7)8/h5-6H,2-4H2,1H3
InChIKeyQNQREASJVXCSSC-UHFFFAOYSA-N
XLogP-0.26
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Ethylamino)tetrahydrothiophene 1,1-dioxide
CID 2772117
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817
3-(Methylsulfonyl)pyrrolidine
CID 3419356
3-(Ethylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 16248236
3-Methanesulfonylpyrrolidine hydrochloride
CID 70700885
3-(Propylamino)-1lambda6-thiolane-1,1-dione
CID 3703923
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione
CID 53536960
3-[(Methylamino)methyl]-1lambda6-thiolane-1,1-dione hydrochloride
CID 53536959
3-(Ethanesulfonyl)pyrrolidine hydrochloride
CID 72716323
3-(Propane-2-sulfonyl)pyrrolidine hydrochloride
CID 72716324

Frequently Asked Questions

What is the IUPAC name of N-methyl-1,1-dioxothiolan-2-amine?
The IUPAC name of N-methyl-1,1-dioxothiolan-2-amine (CID 54237578) is N-methyl-1,1-dioxothiolan-2-amine.
What is the SMILES notation for N-methyl-1,1-dioxothiolan-2-amine?
The canonical SMILES for N-methyl-1,1-dioxothiolan-2-amine is CNC1CCCS1(=O)=O.
What is the InChIKey of N-methyl-1,1-dioxothiolan-2-amine?
The InChIKey is QNQREASJVXCSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S/c1-6-5-3-2-4-9(5,7)8/h5-6H,2-4H2,1H3.
What are the key properties of N-methyl-1,1-dioxothiolan-2-amine?
N-methyl-1,1-dioxothiolan-2-amine has a molecular weight of 149.21 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1,1-dioxothiolan-2-amine is sourced from PubChem (CID 54237578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).