1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine

C12H25N3S — CID 63165977

IUPAC1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCCSC2)C1
InChIInChI=1S/C12H25N3S/c1-14(2)11-4-6-15(8-11)12(9-13)5-3-7-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyZRPYRATXTCNFHT-UHFFFAOYSA-N
MW243.42 g/mol
LogP0.85
Rot. Bonds3

About 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine

1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63165977) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63165977
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN(C)C1CCN(C2(CN)CCCSC2)C1
InChIInChI=1S/C12H25N3S/c1-14(2)11-4-6-15(8-11)12(9-13)5-3-7-16-10-12/h11H,3-10,13H2,1-2H3
InChIKeyZRPYRATXTCNFHT-UHFFFAOYSA-N
XLogP0.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-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 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine (CID 63165977) is 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine is CN(C)C1CCN(C2(CN)CCCSC2)C1.
What is the InChIKey of 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is ZRPYRATXTCNFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-14(2)11-4-6-15(8-11)12(9-13)5-3-7-16-10-12/h11H,3-10,13H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine?
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 243.42 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63165977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).