3-[(thiolan-3-ylamino)methyl]benzamide

C12H16N2OS — CID 43664732

IUPAC3-[(thiolan-3-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCSC2)c1
InChIInChI=1S/C12H16N2OS/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15)
InChIKeyWNAJCEQAPICTEE-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.38
Rot. Bonds4

About 3-[(thiolan-3-ylamino)methyl]benzamide

3-[(thiolan-3-ylamino)methyl]benzamide (PubChem CID 43664732) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-[(thiolan-3-ylamino)methyl]benzamide.

Molecular Properties

Compound Name3-[(thiolan-3-ylamino)methyl]benzamide
PubChem CID43664732
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name3-[(thiolan-3-ylamino)methyl]benzamide
SMILESNC(=O)c1cccc(CNC2CCSC2)c1
InChIInChI=1S/C12H16N2OS/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15)
InChIKeyWNAJCEQAPICTEE-UHFFFAOYSA-N
XLogP1.38
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(thiolan-3-ylamino)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(thiolan-3-ylmethylamino)methyl]benzamide
CID 107131427
3-[[(4-hydroxycyclohexyl)amino]methyl]benzamide
CID 62998980
3-[(oxolan-3-ylamino)methyl]benzamide
CID 63332008
3-[[(3-phenylcyclobutyl)amino]methyl]benzamide
CID 43664689
3-[(1,4-dithian-2-ylmethylamino)methyl]benzamide
CID 115696182
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
3-[(carbamoylamino)methyl]benzamide
CID 166184789
3-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]benzamide
CID 60977331
3-chloro-4-[(thian-4-ylamino)methyl]benzamide
CID 102665132
methyl 4-[(thiolan-3-ylamino)methyl]benzoate
CID 103923433
3-[[(2-methylcyclopentyl)amino]methyl]benzamide
CID 63277760
3-[(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)methyl]benzamide
CID 78921069

Frequently Asked Questions

What is the IUPAC name of 3-[(thiolan-3-ylamino)methyl]benzamide?
The IUPAC name of 3-[(thiolan-3-ylamino)methyl]benzamide (CID 43664732) is 3-[(thiolan-3-ylamino)methyl]benzamide.
What is the SMILES notation for 3-[(thiolan-3-ylamino)methyl]benzamide?
The canonical SMILES for 3-[(thiolan-3-ylamino)methyl]benzamide is NC(=O)c1cccc(CNC2CCSC2)c1.
What is the InChIKey of 3-[(thiolan-3-ylamino)methyl]benzamide?
The InChIKey is WNAJCEQAPICTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-12(15)10-3-1-2-9(6-10)7-14-11-4-5-16-8-11/h1-3,6,11,14H,4-5,7-8H2,(H2,13,15).
What are the key properties of 3-[(thiolan-3-ylamino)methyl]benzamide?
3-[(thiolan-3-ylamino)methyl]benzamide has a molecular weight of 236.34 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(thiolan-3-ylamino)methyl]benzamide is sourced from PubChem (CID 43664732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).