N-ethyl-1,1-dioxothiolan-3-amine

C6H13NO2S — CID 2772117

IUPACN-ethyl-1,1-dioxothiolan-3-amine
SMILESCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyBNVNYCSJNTUPFM-UHFFFAOYSA-N
MW163.24 g/mol
LogP-0.22
Rot. Bonds2

About N-ethyl-1,1-dioxothiolan-3-amine

N-ethyl-1,1-dioxothiolan-3-amine (PubChem CID 2772117) has the molecular formula C6H13NO2S and a molecular weight of 163.24 g/mol. Its IUPAC name is N-ethyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1-dioxothiolan-3-amine
PubChem CID2772117
Molecular FormulaC6H13NO2S
Molecular Weight163.24 g/mol
Exact Mass163.07
IUPAC NameN-ethyl-1,1-dioxothiolan-3-amine
SMILESCCNC1CCS(=O)(=O)C1
InChIInChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3
InChIKeyBNVNYCSJNTUPFM-UHFFFAOYSA-N
XLogP-0.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1,1-dioxothiolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Thiophenamine, tetrahydro-, 1,1-dioxide
CID 22807
Sulfocarbathione
CID 2770187
Propyl 1,1-dioxidotetrahydrothien-3-yldithiocarbamate
CID 2831153
N-butyl-N-(1,1-dioxidotetrahydrothien-3-yl)amine hydrochloride
CID 12643601
3-((2-Aminoethyl)amino)tetrahydrothiophene 1,1-dioxide dihydrochloride
CID 16300317
3-Methyl-3-(methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 18559021
3-(Butylamino)-1lambda6-thiolane-1,1-dione
CID 2831159
3-(Isobutylamino)tetrahydrothiophene 1,1-dioxide hydrochloride
CID 16187048
(2R)-2-(methanesulfonylmethyl)pyrrolidine
CID 23401765
(1-Methanesulfonylpropan-2-yl)(methyl)amine
CID 54592895
Tetrahydro-N-methylthiophen-3-amine 1,1-dioxide
CID 2736805
3-(Methylamino)-1lambda6-thiolane-1,1-dione hydrochloride
CID 2770817

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-ethyl-1,1-dioxothiolan-3-amine (CID 2772117) is N-ethyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-ethyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-ethyl-1,1-dioxothiolan-3-amine is CCNC1CCS(=O)(=O)C1.
What is the InChIKey of N-ethyl-1,1-dioxothiolan-3-amine?
The InChIKey is BNVNYCSJNTUPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2S/c1-2-7-6-3-4-10(8,9)5-6/h6-7H,2-5H2,1H3.
What are the key properties of N-ethyl-1,1-dioxothiolan-3-amine?
N-ethyl-1,1-dioxothiolan-3-amine has a molecular weight of 163.24 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 2772117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).