3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol

C9H18N2OS — CID 105454884

IUPAC3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCSC2)CCNC1
InChIInChI=1S/C9H18N2OS/c12-9(2-3-10-6-9)7-11-8-1-4-13-5-8/h8,10-12H,1-7H2
InChIKeyOMYVTUKXKRJJRB-UHFFFAOYSA-N
MW202.32 g/mol
LogP-0.19
Rot. Bonds3

About 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol

3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol (PubChem CID 105454884) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol
PubChem CID105454884
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol
SMILESOC1(CNC2CCSC2)CCNC1
InChIInChI=1S/C9H18N2OS/c12-9(2-3-10-6-9)7-11-8-1-4-13-5-8/h8,10-12H,1-7H2
InChIKeyOMYVTUKXKRJJRB-UHFFFAOYSA-N
XLogP-0.19
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 5-0.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol 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 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol (CID 105454884) is 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol is OC1(CNC2CCSC2)CCNC1.
What is the InChIKey of 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol?
The InChIKey is OMYVTUKXKRJJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS/c12-9(2-3-10-6-9)7-11-8-1-4-13-5-8/h8,10-12H,1-7H2.
What are the key properties of 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol?
3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol has a molecular weight of 202.32 g/mol, XLogP of -0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiolan-3-ylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 105454884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).