N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide

C14H19N3O3S — CID 51096205

IUPACN-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1[N+](=O)[O-])NC1CCCCCC1
InChIInChI=1S/C14H19N3O3S/c18-13(16-11-6-3-1-2-4-7-11)10-21-14-12(17(19)20)8-5-9-15-14/h5,8-9,11H,1-4,6-7,10H2,(H,16,18)
InChIKeyJWQUDUJHPSQCSF-UHFFFAOYSA-N
MW309.39 g/mol
LogP2.92
Rot. Bonds5

About N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide

N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide (PubChem CID 51096205) has the molecular formula C14H19N3O3S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
PubChem CID51096205
Molecular FormulaC14H19N3O3S
Molecular Weight309.39 g/mol
Exact Mass309.11
IUPAC NameN-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
SMILESO=C(CSc1ncccc1[N+](=O)[O-])NC1CCCCCC1
InChIInChI=1S/C14H19N3O3S/c18-13(16-11-6-3-1-2-4-7-11)10-21-14-12(17(19)20)8-5-9-15-14/h5,8-9,11H,1-4,6-7,10H2,(H,16,18)
InChIKeyJWQUDUJHPSQCSF-UHFFFAOYSA-N
XLogP2.92
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclooctyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 47771122
2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylate
CID 2403044
N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 10184396
N-cyclohexyl-2-(3-pyrazol-1-ylpyrazin-2-yl)sulfanylacetamide
CID 95919214
N-cyclooctyl-2-(5-nitroquinolin-8-yl)oxyacetamide
CID 23987661
N-[1-(3-nitro-2-pyridinyl)piperidin-4-yl]acetamide
CID 49430968
N-[(3R)-1,1-dioxothiolan-3-yl]-2-(2-nitrophenyl)sulfanylacetamide
CID 7371428
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
N-cyclohexyl-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrazin-2-yl]sulfanylacetamide
CID 46393595
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide
CID 47073913
N-cyclohexyl-2-[4-(pyridin-3-ylsulfamoyl)phenyl]sulfanylacetamide
CID 6462367
2-(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)sulfanyl-N-cyclopentylacetamide
CID 3214157

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide (CID 51096205) is N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide is O=C(CSc1ncccc1[N+](=O)[O-])NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide?
The InChIKey is JWQUDUJHPSQCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S/c18-13(16-11-6-3-1-2-4-7-11)10-21-14-12(17(19)20)8-5-9-15-14/h5,8-9,11H,1-4,6-7,10H2,(H,16,18).
What are the key properties of N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide?
N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide has a molecular weight of 309.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(3-nitro-2-pyridinyl)sulfanyl]acetamide is sourced from PubChem (CID 51096205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).