N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide

C12H16N2OS2 — CID 112758937

IUPACN-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide
SMILESCC(NC(=O)C1CSCCS1)c1ccccn1
InChIInChI=1S/C12H16N2OS2/c1-9(10-4-2-3-5-13-10)14-12(15)11-8-16-6-7-17-11/h2-5,9,11H,6-8H2,1H3,(H,14,15)
InChIKeyBNLQHDKZRWBFEI-UHFFFAOYSA-N
MW268.41 g/mol
LogP2.11
Rot. Bonds3

About N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide

N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide (PubChem CID 112758937) has the molecular formula C12H16N2OS2 and a molecular weight of 268.41 g/mol. Its IUPAC name is N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide
PubChem CID112758937
Molecular FormulaC12H16N2OS2
Molecular Weight268.41 g/mol
Exact Mass268.07
IUPAC NameN-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide
SMILESCC(NC(=O)C1CSCCS1)c1ccccn1
InChIInChI=1S/C12H16N2OS2/c1-9(10-4-2-3-5-13-10)14-12(15)11-8-16-6-7-17-11/h2-5,9,11H,6-8H2,1H3,(H,14,15)
InChIKeyBNLQHDKZRWBFEI-UHFFFAOYSA-N
XLogP2.11
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.41
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide 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

N-[(1S)-1-pyridin-2-ylethyl]cyclohexanecarboxamide
CID 92852511
2-(1-pyridin-2-ylethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54918518
5-oxo-N-(1-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
CID 110743906
3-amino-N-[(1S)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407435
3-(1-pyridin-2-ylethylcarbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 43529021
4-(1-pyridin-2-ylethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904549
2-methyl-3-(1-pyridin-2-ylethylcarbamoyl)-1,3-thiazolidine-4-carboxylic acid
CID 63780714
1-[(1S)-1-cyclopropylethyl]-3-[(1R)-1-pyridin-2-ylethyl]urea
CID 36970118
1-[(1S)-1-cyclopropylethyl]-3-[(1S)-1-pyridin-2-ylethyl]urea
CID 36970112
5-oxo-N-(1-pyridin-2-ylethyl)piperazine-2-carboxamide
CID 107433872
2-amino-N-[(1R)-1-pyridin-2-ylethyl]cyclopentane-1-carboxamide
CID 81407618
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide (CID 112758937) is N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide is CC(NC(=O)C1CSCCS1)c1ccccn1.
What is the InChIKey of N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide?
The InChIKey is BNLQHDKZRWBFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS2/c1-9(10-4-2-3-5-13-10)14-12(15)11-8-16-6-7-17-11/h2-5,9,11H,6-8H2,1H3,(H,14,15).
What are the key properties of N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide?
N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide has a molecular weight of 268.41 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylethyl)-1,4-dithiane-2-carboxamide is sourced from PubChem (CID 112758937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).