3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine

C7H16N2OS — CID 67060899

IUPAC3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine
SMILESCN(C)C1(CN)CCS(=O)C1
InChIInChI=1S/C7H16N2OS/c1-9(2)7(5-8)3-4-11(10)6-7/h3-6,8H2,1-2H3
InChIKeyQDTIJCKKVMRXNU-UHFFFAOYSA-N
MW176.28 g/mol
LogP-0.60
Rot. Bonds2

About 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine

3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine (PubChem CID 67060899) has the molecular formula C7H16N2OS and a molecular weight of 176.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine
PubChem CID67060899
Molecular FormulaC7H16N2OS
Molecular Weight176.28 g/mol
Exact Mass176.10
IUPAC Name3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine
SMILESCN(C)C1(CN)CCS(=O)C1
InChIInChI=1S/C7H16N2OS/c1-9(2)7(5-8)3-4-11(10)6-7/h3-6,8H2,1-2H3
InChIKeyQDTIJCKKVMRXNU-UHFFFAOYSA-N
XLogP-0.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-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-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 2779827
4-[4-amino-3-(dimethylamino)-3-methylbutyl]sulfinyl-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 87253840
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine
CID 130440236
N,N-dimethyl-3-(methylaminomethyl)thiolan-3-amine;ethane
CID 145087557
[(3R)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932626
(3R)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932627
[(3S)-3-(azaniumylmethyl)thiolan-3-yl]-dimethylazanium
CID 6932628
(3S)-3-(aminomethyl)-N,N-dimethylthiolan-3-amine
CID 6932629
3-(aminomethyl)-N-methyl-N-propan-2-ylthiolan-3-amine
CID 24691049
3-(aminomethyl)-N-butyl-N-ethylthiolan-3-amine
CID 24697263
3-(aminomethyl)-N,N-dipropylthiolan-3-amine
CID 24705226
3-(aminomethyl)-N,N-diethylthiolan-3-amine
CID 24705648

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine (CID 67060899) is 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine is CN(C)C1(CN)CCS(=O)C1.
What is the InChIKey of 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine?
The InChIKey is QDTIJCKKVMRXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2OS/c1-9(2)7(5-8)3-4-11(10)6-7/h3-6,8H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine?
3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine has a molecular weight of 176.28 g/mol, XLogP of -0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dimethyl-1-oxothiolan-3-amine is sourced from PubChem (CID 67060899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).