[(2-heptylcyclopentylidene)amino]thiourea

C13H25N3S — CID 74335701

IUPAC[(2-heptylcyclopentylidene)amino]thiourea
SMILESCCCCCCCC1CCCC1=NNC(N)=S
InChIInChI=1S/C13H25N3S/c1-2-3-4-5-6-8-11-9-7-10-12(11)15-16-13(14)17/h11H,2-10H2,1H3,(H3,14,16,17)
InChIKeyWJOQZECLODDLDZ-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.34
Rot. Bonds7

About [(2-heptylcyclopentylidene)amino]thiourea

[(2-heptylcyclopentylidene)amino]thiourea (PubChem CID 74335701) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is [(2-heptylcyclopentylidene)amino]thiourea.

Molecular Properties

Compound Name[(2-heptylcyclopentylidene)amino]thiourea
PubChem CID74335701
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name[(2-heptylcyclopentylidene)amino]thiourea
SMILESCCCCCCCC1CCCC1=NNC(N)=S
InChIInChI=1S/C13H25N3S/c1-2-3-4-5-6-8-11-9-7-10-12(11)15-16-13(14)17/h11H,2-10H2,1H3,(H3,14,16,17)
InChIKeyWJOQZECLODDLDZ-UHFFFAOYSA-N
XLogP3.34
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[1-(1-methylcyclohexyl)ethylidene]hydrazinecarbothioamide
CID 9616533
2-Hexyl-1-cyclopentanone thiosemicarbazone
CID 2835896
2-(1-Cyclododecylethylidene)Hydrazinecarbothioamide
CID 9609685
(Spiro[4.5]decan-10-ylideneamino)thiourea
CID 4031588
4-Cyclohexyl-4-methyl-2-pentanone thiosemicarbazone
CID 5941975
ethane;[(E)-(2-hexylcyclopentylidene)amino]thiourea
CID 46897918
[(2-Hexylcyclopentylidene)amino]thiourea
CID 9585336
3-Methylcyclohexanone thiosemicarbazone
CID 74405055
[(E)-[(2S,5R)-2-isopropyl-5-methyl-cyclohexylidene]amino]thiourea
CID 86572564
2-(2-Methylcyclohexylidene)hydrazine-1-carbothioamide
CID 71444739
Hydrazinecarbothioamide, 2-(2-methylcyclohexylidene)-
CID 9603611
[(Z)-(2-hexylcyclopentylidene)amino]thiourea
CID 5719399

Frequently Asked Questions

What is the IUPAC name of [(2-heptylcyclopentylidene)amino]thiourea?
The IUPAC name of [(2-heptylcyclopentylidene)amino]thiourea (CID 74335701) is [(2-heptylcyclopentylidene)amino]thiourea.
What is the SMILES notation for [(2-heptylcyclopentylidene)amino]thiourea?
The canonical SMILES for [(2-heptylcyclopentylidene)amino]thiourea is CCCCCCCC1CCCC1=NNC(N)=S.
What is the InChIKey of [(2-heptylcyclopentylidene)amino]thiourea?
The InChIKey is WJOQZECLODDLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-2-3-4-5-6-8-11-9-7-10-12(11)15-16-13(14)17/h11H,2-10H2,1H3,(H3,14,16,17).
What are the key properties of [(2-heptylcyclopentylidene)amino]thiourea?
[(2-heptylcyclopentylidene)amino]thiourea has a molecular weight of 255.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-heptylcyclopentylidene)amino]thiourea is sourced from PubChem (CID 74335701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).