2-(aminomethyl)-N,N-dimethylthiolan-2-amine

C7H16N2S — CID 174638114

IUPAC2-(aminomethyl)-N,N-dimethylthiolan-2-amine
SMILESCN(C)C1(CN)CCCS1
InChIInChI=1S/C7H16N2S/c1-9(2)7(6-8)4-3-5-10-7/h3-6,8H2,1-2H3
InChIKeyLVHHLZCGWYONBB-UHFFFAOYSA-N
MW160.29 g/mol
LogP0.73
Rot. Bonds2

About 2-(aminomethyl)-N,N-dimethylthiolan-2-amine

2-(aminomethyl)-N,N-dimethylthiolan-2-amine (PubChem CID 174638114) has the molecular formula C7H16N2S and a molecular weight of 160.29 g/mol. Its IUPAC name is 2-(aminomethyl)-N,N-dimethylthiolan-2-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N,N-dimethylthiolan-2-amine
PubChem CID174638114
Molecular FormulaC7H16N2S
Molecular Weight160.29 g/mol
Exact Mass160.10
IUPAC Name2-(aminomethyl)-N,N-dimethylthiolan-2-amine
SMILESCN(C)C1(CN)CCCS1
InChIInChI=1S/C7H16N2S/c1-9(2)7(6-8)4-3-5-10-7/h3-6,8H2,1-2H3
InChIKeyLVHHLZCGWYONBB-UHFFFAOYSA-N
XLogP0.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(aminomethyl)-N,N-dimethylthiolan-2-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 2-(aminomethyl)-N,N-dimethylthiolan-2-amine?
The IUPAC name of 2-(aminomethyl)-N,N-dimethylthiolan-2-amine (CID 174638114) is 2-(aminomethyl)-N,N-dimethylthiolan-2-amine.
What is the SMILES notation for 2-(aminomethyl)-N,N-dimethylthiolan-2-amine?
The canonical SMILES for 2-(aminomethyl)-N,N-dimethylthiolan-2-amine is CN(C)C1(CN)CCCS1.
What is the InChIKey of 2-(aminomethyl)-N,N-dimethylthiolan-2-amine?
The InChIKey is LVHHLZCGWYONBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2S/c1-9(2)7(6-8)4-3-5-10-7/h3-6,8H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N,N-dimethylthiolan-2-amine?
2-(aminomethyl)-N,N-dimethylthiolan-2-amine has a molecular weight of 160.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N,N-dimethylthiolan-2-amine is sourced from PubChem (CID 174638114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).