N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine

C11H20N2S — CID 155891929

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
SMILESC1CN(C2CC2)CC1CNC1CSC1
InChIInChI=1S/C11H20N2S/c1-2-11(1)13-4-3-9(6-13)5-12-10-7-14-8-10/h9-12H,1-8H2
InChIKeyOOGAHZTXMSRPLJ-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.18
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine (PubChem CID 155891929) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
PubChem CID155891929
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine
SMILESC1CN(C2CC2)CC1CNC1CSC1
InChIInChI=1S/C11H20N2S/c1-2-11(1)13-4-3-9(6-13)5-12-10-7-14-8-10/h9-12H,1-8H2
InChIKeyOOGAHZTXMSRPLJ-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-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-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine (CID 155891929) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine is C1CN(C2CC2)CC1CNC1CSC1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine?
The InChIKey is OOGAHZTXMSRPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-2-11(1)13-4-3-9(6-13)5-12-10-7-14-8-10/h9-12H,1-8H2.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine has a molecular weight of 212.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]thietan-3-amine is sourced from PubChem (CID 155891929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).