2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide

C16H16N2OS — CID 9397114

IUPAC2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc[nH]c1=S
InChIInChI=1S/C16H16N2OS/c19-15(13-8-4-10-17-16(13)20)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyONSCQYPAFGXNGW-CQSZACIVSA-N
MW284.38 g/mol
LogP3.55
Rot. Bonds2

About 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide

2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide (PubChem CID 9397114) has the molecular formula C16H16N2OS and a molecular weight of 284.38 g/mol. Its IUPAC name is 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
PubChem CID9397114
Molecular FormulaC16H16N2OS
Molecular Weight284.38 g/mol
Exact Mass284.10
IUPAC Name2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2ccccc21)c1ccc[nH]c1=S
InChIInChI=1S/C16H16N2OS/c19-15(13-8-4-10-17-16(13)20)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,20)(H,18,19)/t14-/m1/s1
InChIKeyONSCQYPAFGXNGW-CQSZACIVSA-N
XLogP3.55
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2-hydroxy-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 11266613
2-amino-3-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 60682216
2-amino-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-3-carboxamide
CID 62072951
3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2-oxazole-4-carboxamide
CID 11149532
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]carbamoyl fluoride
CID 90147743
2,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2124760
2,3,4,5,6-pentafluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 71474180
2-ethylsulfonyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 8777527
N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-indole-6-carboxamide
CID 39705283
3,5-dichloro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 7428902
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 141027232
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide (CID 9397114) is 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide is O=C(N[C@@H]1CCCc2ccccc21)c1ccc[nH]c1=S.
What is the InChIKey of 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide?
The InChIKey is ONSCQYPAFGXNGW-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2OS/c19-15(13-8-4-10-17-16(13)20)18-14-9-3-6-11-5-1-2-7-12(11)14/h1-2,4-5,7-8,10,14H,3,6,9H2,(H,17,20)(H,18,19)/t14-/m1/s1.
What are the key properties of 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide?
2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide has a molecular weight of 284.38 g/mol, XLogP of 3.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidene-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 9397114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).