N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide

C12H16N2OS — CID 64884692

IUPACN-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCSC1
InChIInChI=1S/C12H16N2OS/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h1-4,10H,5-8,13H2,(H,14,15)
InChIKeyIZZVAYNKHIKLFI-UHFFFAOYSA-N
MW236.34 g/mol
LogP1.84
Rot. Bonds3

About N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide

N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide (PubChem CID 64884692) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
PubChem CID64884692
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC NameN-[2-(aminomethyl)phenyl]thiolane-3-carboxamide
SMILESNCc1ccccc1NC(=O)C1CCSC1
InChIInChI=1S/C12H16N2OS/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h1-4,10H,5-8,13H2,(H,14,15)
InChIKeyIZZVAYNKHIKLFI-UHFFFAOYSA-N
XLogP1.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethoxyphenyl)thiolane-3-carboxamide
CID 110860132
N-[2-(aminomethyl)phenyl]oxane-4-carboxamide
CID 63754854
N-[2-(aminomethyl)phenyl]piperidine-4-carboxamide
CID 110482330
N-(3-hydroxy-2-methylphenyl)thiolane-3-carboxamide
CID 64795102
N-[2-(aminomethyl)phenyl]-2-oxo-1,3-thiazolidine-4-carboxamide
CID 64896228
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
N-[2-(aminomethyl)phenyl]-2-cyclobutylacetamide
CID 103164982
N-[(2-methylphenyl)methyl]thiolane-3-carboxamide
CID 110850669
N-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-2-carboxamide
CID 64882512
1-N,4-N-bis(2-ethylphenyl)cyclohexane-1,4-dicarboxamide
CID 40704434
N-(2-ethylphenyl)cyclopentanecarboxamide
CID 897142
N-[2-(3-aminoprop-1-ynyl)-4-chlorophenyl]thiolane-3-carboxamide
CID 81270599

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide?
The IUPAC name of N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide (CID 64884692) is N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide.
What is the SMILES notation for N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide?
The canonical SMILES for N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide is NCc1ccccc1NC(=O)C1CCSC1.
What is the InChIKey of N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide?
The InChIKey is IZZVAYNKHIKLFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c13-7-9-3-1-2-4-11(9)14-12(15)10-5-6-16-8-10/h1-4,10H,5-8,13H2,(H,14,15).
What are the key properties of N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide?
N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide has a molecular weight of 236.34 g/mol, XLogP of 1.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)phenyl]thiolane-3-carboxamide is sourced from PubChem (CID 64884692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).