N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide

C16H21FN2OS — CID 4844609

IUPACN-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NN=C1CCCCCC1
InChIInChI=1S/C16H21FN2OS/c17-13-7-9-15(10-8-13)21-12-11-16(20)19-18-14-5-3-1-2-4-6-14/h7-10H,1-6,11-12H2,(H,19,20)
InChIKeyRZGQINARZSOOJD-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.13
Rot. Bonds5

About N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide

N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide (PubChem CID 4844609) has the molecular formula C16H21FN2OS and a molecular weight of 308.42 g/mol. Its IUPAC name is N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide
PubChem CID4844609
Molecular FormulaC16H21FN2OS
Molecular Weight308.42 g/mol
Exact Mass308.14
IUPAC NameN-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide
SMILESO=C(CCSc1ccc(F)cc1)NN=C1CCCCCC1
InChIInChI=1S/C16H21FN2OS/c17-13-7-9-15(10-8-13)21-12-11-16(20)19-18-14-5-3-1-2-4-6-14/h7-10H,1-6,11-12H2,(H,19,20)
InChIKeyRZGQINARZSOOJD-UHFFFAOYSA-N
XLogP4.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylideneamino)-2-phenylsulfanylpropanamide
CID 3110489
3-(4-chlorophenyl)sulfanyl-N-(cycloheptylideneamino)propanamide
CID 809297
N-(cycloheptylideneamino)-2-phenylsulfanylpropanamide
CID 3110506
2-Phenylsulfanyl-propionic acid (1,2,2-trimethyl-propylidene)-hydrazide
CID 5954425
N'-cyclooctylidene-2-(phenylsulfanyl)propanehydrazide
CID 3110511
3-Methyl-4-phenylsulfanyl-1,4-dihydropyrazol-5-one
CID 14533059
N-(cycloheptylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 4848869
2-(2-fluorophenyl)sulfanyl-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 8047556
2-(2-fluorophenyl)sulfanyl-N-[(4-methylcyclohexylidene)amino]acetamide
CID 8047557
N-(cyclopentylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047560
N-(cyclohexylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047568
N-(cyclooctylideneamino)-2-(2-fluorophenyl)sulfanylacetamide
CID 8047569

Frequently Asked Questions

What is the IUPAC name of N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide?
The IUPAC name of N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide (CID 4844609) is N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide.
What is the SMILES notation for N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide?
The canonical SMILES for N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide is O=C(CCSc1ccc(F)cc1)NN=C1CCCCCC1.
What is the InChIKey of N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide?
The InChIKey is RZGQINARZSOOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2OS/c17-13-7-9-15(10-8-13)21-12-11-16(20)19-18-14-5-3-1-2-4-6-14/h7-10H,1-6,11-12H2,(H,19,20).
What are the key properties of N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide?
N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide has a molecular weight of 308.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cycloheptylideneamino)-3-(4-fluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 4844609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).