[(3-propylsulfanylphenyl)methylideneamino]urea

C11H15N3OS — CID 168532022

IUPAC[(3-propylsulfanylphenyl)methylideneamino]urea
SMILESCCCSc1cccc(C=NNC(N)=O)c1
InChIInChI=1S/C11H15N3OS/c1-2-6-16-10-5-3-4-9(7-10)8-13-14-11(12)15/h3-5,7-8H,2,6H2,1H3,(H3,12,14,15)
InChIKeyNTCGMZPUVSTZLY-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.19
Rot. Bonds5

About [(3-propylsulfanylphenyl)methylideneamino]urea

[(3-propylsulfanylphenyl)methylideneamino]urea (PubChem CID 168532022) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is [(3-propylsulfanylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(3-propylsulfanylphenyl)methylideneamino]urea
PubChem CID168532022
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name[(3-propylsulfanylphenyl)methylideneamino]urea
SMILESCCCSc1cccc(C=NNC(N)=O)c1
InChIInChI=1S/C11H15N3OS/c1-2-6-16-10-5-3-4-9(7-10)8-13-14-11(12)15/h3-5,7-8H,2,6H2,1H3,(H3,12,14,15)
InChIKeyNTCGMZPUVSTZLY-UHFFFAOYSA-N
XLogP2.19
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
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

(3-propylsulfanylphenyl)methylidenehydrazine
CID 168529321
[(3-butoxyphenyl)methylideneamino]urea
CID 168531918
[[3-(butoxymethyl)phenyl]methylideneamino]urea
CID 168532062
[(E)-benzylideneamino]urea
CID 6861419
[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
CID 168531880
[(Z)-(3-chloro-4-propoxyphenyl)methylideneamino]urea
CID 110540127
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]urea
CID 7832387
[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532117
[(Z)-(3-ethoxy-4-pentoxyphenyl)methylideneamino]urea
CID 112538734
[[3-(propan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532038

Frequently Asked Questions

What is the IUPAC name of [(3-propylsulfanylphenyl)methylideneamino]urea?
The IUPAC name of [(3-propylsulfanylphenyl)methylideneamino]urea (CID 168532022) is [(3-propylsulfanylphenyl)methylideneamino]urea.
What is the SMILES notation for [(3-propylsulfanylphenyl)methylideneamino]urea?
The canonical SMILES for [(3-propylsulfanylphenyl)methylideneamino]urea is CCCSc1cccc(C=NNC(N)=O)c1.
What is the InChIKey of [(3-propylsulfanylphenyl)methylideneamino]urea?
The InChIKey is NTCGMZPUVSTZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-6-16-10-5-3-4-9(7-10)8-13-14-11(12)15/h3-5,7-8H,2,6H2,1H3,(H3,12,14,15).
What are the key properties of [(3-propylsulfanylphenyl)methylideneamino]urea?
[(3-propylsulfanylphenyl)methylideneamino]urea has a molecular weight of 237.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-propylsulfanylphenyl)methylideneamino]urea is sourced from PubChem (CID 168532022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).