N,3-dimethyl-1-oxothietan-3-amine

C5H11NOS — CID 162358806

IUPACN,3-dimethyl-1-oxothietan-3-amine
SMILESCNC1(C)CS(=O)C1
InChIInChI=1S/C5H11NOS/c1-5(6-2)3-8(7)4-5/h6H,3-4H2,1-2H3
InChIKeyBICKRCIBTBQFBA-UHFFFAOYSA-N
MW133.22 g/mol
LogP-0.27
Rot. Bonds1

About N,3-dimethyl-1-oxothietan-3-amine

N,3-dimethyl-1-oxothietan-3-amine (PubChem CID 162358806) has the molecular formula C5H11NOS and a molecular weight of 133.22 g/mol. Its IUPAC name is N,3-dimethyl-1-oxothietan-3-amine.

Molecular Properties

Compound NameN,3-dimethyl-1-oxothietan-3-amine
PubChem CID162358806
Molecular FormulaC5H11NOS
Molecular Weight133.22 g/mol
Exact Mass133.06
IUPAC NameN,3-dimethyl-1-oxothietan-3-amine
SMILESCNC1(C)CS(=O)C1
InChIInChI=1S/C5H11NOS/c1-5(6-2)3-8(7)4-5/h6H,3-4H2,1-2H3
InChIKeyBICKRCIBTBQFBA-UHFFFAOYSA-N
XLogP-0.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,3-dimethyl-1-oxothietan-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

N,3-dimethyl-1-oxothiolan-3-amine
CID 162359004
1-N,3-N,1,3-tetramethylcyclobutane-1,3-diamine
CID 142585544
N,1,3-trimethylcyclobutan-1-amine
CID 146805170
N,3-dimethylthietan-3-amine
CID 83478562
CID 148922193
CID 148922193
(3R)-1-methanidyl-N,3-dimethylpyrrolidin-1-ium-3-amine
CID 59704389
1-oxothietane-3,3-diol
CID 175442478
N,4-dimethyl-1-(2-methylprop-2-enyl)piperidin-4-amine
CID 115305084
1-methyl-2-(1-methylcyclopropyl)hydrazine
CID 123432267
N,3-dimethyl-1,1-dioxothiolan-3-amine;hydrochloride
CID 18559021
cis-(1R,3R)-N,1,3-trimethylcyclohexan-1-amine
CID 55288298
N,4-dimethylpiperidin-4-amine;ethane
CID 162525736

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-oxothietan-3-amine?
The IUPAC name of N,3-dimethyl-1-oxothietan-3-amine (CID 162358806) is N,3-dimethyl-1-oxothietan-3-amine.
What is the SMILES notation for N,3-dimethyl-1-oxothietan-3-amine?
The canonical SMILES for N,3-dimethyl-1-oxothietan-3-amine is CNC1(C)CS(=O)C1.
What is the InChIKey of N,3-dimethyl-1-oxothietan-3-amine?
The InChIKey is BICKRCIBTBQFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NOS/c1-5(6-2)3-8(7)4-5/h6H,3-4H2,1-2H3.
What are the key properties of N,3-dimethyl-1-oxothietan-3-amine?
N,3-dimethyl-1-oxothietan-3-amine has a molecular weight of 133.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-oxothietan-3-amine is sourced from PubChem (CID 162358806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).