(4-ethyl-1,1-dioxothian-3-yl)methanamine

C8H17NO2S — CID 84772118

IUPAC(4-ethyl-1,1-dioxothian-3-yl)methanamine
SMILESCCC1CCS(=O)(=O)CC1CN
InChIInChI=1S/C8H17NO2S/c1-2-7-3-4-12(10,11)6-8(7)5-9/h7-8H,2-6,9H2,1H3
InChIKeyXNONKQYCOYTHIR-UHFFFAOYSA-N
MW191.30 g/mol
LogP0.41
Rot. Bonds2

About (4-ethyl-1,1-dioxothian-3-yl)methanamine

(4-ethyl-1,1-dioxothian-3-yl)methanamine (PubChem CID 84772118) has the molecular formula C8H17NO2S and a molecular weight of 191.30 g/mol. Its IUPAC name is (4-ethyl-1,1-dioxothian-3-yl)methanamine.

Molecular Properties

Compound Name(4-ethyl-1,1-dioxothian-3-yl)methanamine
PubChem CID84772118
Molecular FormulaC8H17NO2S
Molecular Weight191.30 g/mol
Exact Mass191.10
IUPAC Name(4-ethyl-1,1-dioxothian-3-yl)methanamine
SMILESCCC1CCS(=O)(=O)CC1CN
InChIInChI=1S/C8H17NO2S/c1-2-7-3-4-12(10,11)6-8(7)5-9/h7-8H,2-6,9H2,1H3
InChIKeyXNONKQYCOYTHIR-UHFFFAOYSA-N
XLogP0.41
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethyl-1,1-dioxothian-3-yl)methanamine 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

3,4-diethylthiane 1,1-dioxide
CID 89014095
(2-ethylcyclobutyl)methanamine
CID 58519219
1,1-dioxo-3-propylthian-4-amine
CID 83484055
[4-(2-fluoroethyl)-1,1-dioxothiolan-3-yl]methanamine
CID 115020252
4-[3-(aminomethyl)-1,1-dioxothian-4-yl]phenol
CID 84805000
3-(2-fluoroethyl)-1,1-dioxothian-4-amine
CID 115020249
N'-(1,1-dioxothiolan-3-yl)-N'-methylbut-2-ene-1,4-diamine
CID 77110448
(4-ethyl-1-methylpyrrolidin-3-yl)methanamine
CID 84762713
(1,1-dioxothian-3-yl)methanamine;hydrochloride
CID 84669194
3-(3-fluoro-1,1-dioxothian-4-yl)propan-1-amine
CID 105463177
(3R)-1,1-dioxothiolan-3-amine;hydrochloride
CID 67041261
1,1-dioxothiolan-3-amine;hydrochloride
CID 2795201

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-1,1-dioxothian-3-yl)methanamine?
The IUPAC name of (4-ethyl-1,1-dioxothian-3-yl)methanamine (CID 84772118) is (4-ethyl-1,1-dioxothian-3-yl)methanamine.
What is the SMILES notation for (4-ethyl-1,1-dioxothian-3-yl)methanamine?
The canonical SMILES for (4-ethyl-1,1-dioxothian-3-yl)methanamine is CCC1CCS(=O)(=O)CC1CN.
What is the InChIKey of (4-ethyl-1,1-dioxothian-3-yl)methanamine?
The InChIKey is XNONKQYCOYTHIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2S/c1-2-7-3-4-12(10,11)6-8(7)5-9/h7-8H,2-6,9H2,1H3.
What are the key properties of (4-ethyl-1,1-dioxothian-3-yl)methanamine?
(4-ethyl-1,1-dioxothian-3-yl)methanamine has a molecular weight of 191.30 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-1,1-dioxothian-3-yl)methanamine is sourced from PubChem (CID 84772118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).