N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide

C14H19N3OS — CID 3954885

IUPACN-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-11(19-13-9-5-6-10-15-13)14(18)17-16-12-7-3-2-4-8-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyMMWFNKGFYUUNCH-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.00
Rot. Bonds4

About N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide

N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide (PubChem CID 3954885) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
PubChem CID3954885
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC NameN-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide
SMILESCC(Sc1ccccn1)C(=O)NN=C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-11(19-13-9-5-6-10-15-13)14(18)17-16-12-7-3-2-4-8-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18)
InChIKeyMMWFNKGFYUUNCH-UHFFFAOYSA-N
XLogP3.00
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide 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-(2,6-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 51234191
N-[(1-hydroxycyclopentyl)methyl]-2-pyridin-2-ylsulfanylpropanamide
CID 111977244
(2R)-N-(2-oxopropyl)-2-pyridin-2-ylsulfanylpropanamide
CID 97251469
N-(1-phenylbutyl)-2-pyridin-2-ylsulfanylpropanamide
CID 46810322
(2R)-N-[(1S)-2-methyl-1-pyridin-2-ylpropyl]-2-pyridin-2-ylsulfanylpropanamide
CID 97079268
(2R)-N-[(Z)-1-(3-iodophenyl)ethylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 27059714
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 4272831
(2S)-N-(2,5-dimethylphenyl)-2-pyridin-2-ylsulfanylpropanamide
CID 26806694
(2R)-2-pyridin-2-ylsulfanyl-N-(2,4,6-trimethylphenyl)propanamide
CID 674012
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-2-pyridin-2-ylsulfanylpropanamide
CID 135607209
N-(4-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-pyridin-2-ylsulfanylpropanamide
CID 71858360
N-[2-(4-methoxyphenyl)ethyl]-2-pyridin-2-ylsulfanylpropanamide
CID 51234182

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide?
The IUPAC name of N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide (CID 3954885) is N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide is CC(Sc1ccccn1)C(=O)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide?
The InChIKey is MMWFNKGFYUUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-11(19-13-9-5-6-10-15-13)14(18)17-16-12-7-3-2-4-8-12/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,18).
What are the key properties of N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide?
N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide has a molecular weight of 277.39 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-pyridin-2-ylsulfanylpropanamide is sourced from PubChem (CID 3954885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).