N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine

C11H22N2OS — CID 62262578

IUPACN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CN)CCOC1)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-13(10-2-5-15-6-10)8-11(7-12)3-4-14-9-11/h10H,2-9,12H2,1H3
InChIKeyQPDQKTQXIOXHQN-UHFFFAOYSA-N
MW230.38 g/mol
LogP0.79
Rot. Bonds4

About N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine

N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine (PubChem CID 62262578) has the molecular formula C11H22N2OS and a molecular weight of 230.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine
PubChem CID62262578
Molecular FormulaC11H22N2OS
Molecular Weight230.38 g/mol
Exact Mass230.15
IUPAC NameN-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine
SMILESCN(CC1(CN)CCOC1)C1CCSC1
InChIInChI=1S/C11H22N2OS/c1-13(10-2-5-15-6-10)8-11(7-12)3-4-14-9-11/h10H,2-9,12H2,1H3
InChIKeyQPDQKTQXIOXHQN-UHFFFAOYSA-N
XLogP0.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.38
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-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-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine (CID 62262578) is N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine is CN(CC1(CN)CCOC1)C1CCSC1.
What is the InChIKey of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine?
The InChIKey is QPDQKTQXIOXHQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2OS/c1-13(10-2-5-15-6-10)8-11(7-12)3-4-14-9-11/h10H,2-9,12H2,1H3.
What are the key properties of N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine?
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine has a molecular weight of 230.38 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 62262578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).