N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine

C13H21NO2S2 — CID 61333762

IUPACN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCc1ccc(C(C)NC2(C)CCS(=O)(=O)C2)s1
InChIInChI=1S/C13H21NO2S2/c1-4-11-5-6-12(17-11)10(2)14-13(3)7-8-18(15,16)9-13/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyLLIZBRQASQDMAE-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.54
Rot. Bonds4

About N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine

N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine (PubChem CID 61333762) has the molecular formula C13H21NO2S2 and a molecular weight of 287.45 g/mol. Its IUPAC name is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine.

Molecular Properties

Compound NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
PubChem CID61333762
Molecular FormulaC13H21NO2S2
Molecular Weight287.45 g/mol
Exact Mass287.10
IUPAC NameN-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine
SMILESCCc1ccc(C(C)NC2(C)CCS(=O)(=O)C2)s1
InChIInChI=1S/C13H21NO2S2/c1-4-11-5-6-12(17-11)10(2)14-13(3)7-8-18(15,16)9-13/h5-6,10,14H,4,7-9H2,1-3H3
InChIKeyLLIZBRQASQDMAE-UHFFFAOYSA-N
XLogP2.54
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-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

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The IUPAC name of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine (CID 61333762) is N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine.
What is the SMILES notation for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The canonical SMILES for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine is CCc1ccc(C(C)NC2(C)CCS(=O)(=O)C2)s1.
What is the InChIKey of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
The InChIKey is LLIZBRQASQDMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S2/c1-4-11-5-6-12(17-11)10(2)14-13(3)7-8-18(15,16)9-13/h5-6,10,14H,4,7-9H2,1-3H3.
What are the key properties of N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine?
N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine has a molecular weight of 287.45 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylthiophen-2-yl)ethyl]-3-methyl-1,1-dioxothiolan-3-amine is sourced from PubChem (CID 61333762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).